5ENV
 
 | | YEAST ALCOHOL DEHYDROGENASE WITH BOUND COENZYME | | Descriptor: | Alcohol dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Plapp, B.V, Charlier Jr, H.A, Ramaswamy, S. | | Deposit date: | 2015-11-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanistic implications from structures of yeast alcohol dehydrogenase complexed with coenzyme and an alcohol.
Arch.Biochem.Biophys., 591, 2015
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4XG9
 | | Crystal structure of an inhibitor-bound Syk | | Descriptor: | 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | | Deposit date: | 2014-12-30 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
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5XF3
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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4XSN
 | | Copper(II) bound to the Z-DNA form of d(CGCGCG) | | Descriptor: | COPPER (II) ION, DNA (5'-D(*CP*(BGM)P*CP*GP*CP*GP)-3') | | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | | Deposit date: | 2015-01-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
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6EB0
 | | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI | | Descriptor: | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION | | Authors: | Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J. | | Deposit date: | 2018-08-03 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
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5XF5
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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8CGR
 | | Apramycin bound to the 30S body | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ... | | Authors: | Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N. | | Deposit date: | 2023-02-06 | | Release date: | 2023-07-26 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.12 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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6S6B
 | | Type III-B Cmr-beta Cryo-EM structure of the Apo state | | Descriptor: | CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ... | | Authors: | Sofos, N, Montoya, G, Stella, S. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-08 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
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6LB2
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with mono-acyl glycerol | | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Shima, Y, Morita, D. | | Deposit date: | 2019-11-13 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69380951 Å) | | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
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7KD6
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4XQZ
 | | Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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5XF4
 | | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration) | | Descriptor: | (1S,2S)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
Nat Commun, 8, 2017
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5MUN
 | | Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis. | | Descriptor: | AZIDE ION, Lys-gingipain W83 | | Authors: | Pomowski, A, Uson, I, Nowakovska, Z, Veillard, F, Sztukowska, M.N, Guevara, T, Goulas, T, Mizgalska, D, Nowak, M, Potempa, B, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2017-01-13 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome.
J. Biol. Chem., 292, 2017
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4XRC
 | | Antibody hemagglutinin Complexes | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 Fab heavy chain, H5.3 Fab light chain, ... | | Authors: | Spiller, B.W, Winarski, K.L. | | Deposit date: | 2015-01-20 | | Release date: | 2015-07-15 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6S8B
 | | Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1 | | Descriptor: | CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ... | | Authors: | Sofos, N, Montoya, G, Stella, S. | | Deposit date: | 2019-07-09 | | Release date: | 2020-07-08 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
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6LAH
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine | | Descriptor: | (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Shima, Y, Morita, D. | | Deposit date: | 2019-11-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
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6S91
 | | Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2 | | Descriptor: | CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ... | | Authors: | Sofos, N, Montoya, G, Stella, S. | | Deposit date: | 2019-07-11 | | Release date: | 2020-07-08 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
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8A1Q
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | Descriptor: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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6YD9
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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5K9J
 | | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization. | | Descriptor: | 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34) | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-05-31 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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6SIC
 | | Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA | | Descriptor: | CRISPR-associated RAMP protein, Cmr1 family, Cmr4 family, ... | | Authors: | Sofos, N, Montoya, G, Stella, S. | | Deposit date: | 2019-08-09 | | Release date: | 2020-07-08 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
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6IWH
 | | Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ... | | Authors: | Yamamoto, Y, Morita, D, Sugita, M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
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7L7U
 | | BG505 SOSIP reconstructed from a designed nanoparticle, BG505 SOSIP-T33-31 (Component B) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ... | | Authors: | Antanasijevic, A, Froes Rocha, R, Sewall, L.M, Ward, A.B. | | Deposit date: | 2020-12-30 | | Release date: | 2021-08-04 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
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