7L6B
| The empty AAV12 capsid | Descriptor: | VP1 | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2020-12-23 | Release date: | 2021-02-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features. Viruses, 13, 2021
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7L6A
| The genome-containing AAV12 capsid | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, VP1 | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2020-12-23 | Release date: | 2021-02-03 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features. Viruses, 13, 2021
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7L6E
| The genome-containing AAV11 capsid | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2020-12-23 | Release date: | 2021-02-03 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Completion of the AAV Structural Atlas: Serotype Capsid Structures Reveals Clade-Specific Features. Viruses, 13, 2021
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2OJV
| Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | Authors: | Singh, A.K, Singh, N, Singh, S.B, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-01-15 | Release date: | 2007-01-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution To be Published
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2YPQ
| 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with tryptophan and tyrosine bound | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J. | Deposit date: | 2012-10-31 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis. J.Mol.Biol., 425, 2013
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5ETH
| RORy in complex with inverse agonist 3. | Descriptor: | 1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide, Nuclear receptor ROR-gamma | Authors: | Marcotte, D.M. | Deposit date: | 2015-11-17 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Discovery of biaryls as ROR gamma inverse agonists by using structure-based design. Bioorg.Med.Chem.Lett., 26, 2016
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5EW1
| Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ... | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | Deposit date: | 2015-11-20 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers. Nucleic Acids Res., 45, 2017
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5EW2
| Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ... | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | Deposit date: | 2015-11-20 | Release date: | 2016-11-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers. Nucleic Acids Res., 45, 2017
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5F3F
| Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain | Descriptor: | 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2015-12-02 | Release date: | 2016-12-07 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections. J.Med.Chem., 59, 2016
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1IA3
| Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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1IA4
| Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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5G3M
| Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease Acs Med.Chem.Lett., 7, 2016
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5GIQ
| Xaa-Pro peptidase from Deinococcus radiodurans, Zinc bound | Descriptor: | PHOSPHATE ION, Proline dipeptidase, ZINC ION | Authors: | Are, V.N, Singh, R, Kumar, A, Ghosh, B, Jamdar, S.N, Makde, R.D. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases. Proteins, 2018
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5GAL
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5GVC
| Human Topoisomerase IIIb topo domain | Descriptor: | DNA topoisomerase 3-beta-1, MAGNESIUM ION | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor Sci Rep, 7, 2017
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5G36
| Yellow form of Halorhodopsin from Halobacterium salinarum in a new rhombohedral crystal form | Descriptor: | CHLORIDE ION, HALORHODOPSIN, RETINAL, ... | Authors: | Schreiner, M, Schlesinger, R, Heberle, J, Niemann, H.H. | Deposit date: | 2016-04-20 | Release date: | 2016-08-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Halobacterium Salinarum Halorhodopsin with Partially Depopulated Primary Chloride Binding Site Acta Crystallogr.,Sect.F, 72, 2016
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7P27
| NMR solution structure of Chikungunya virus macro domain | Descriptor: | Polyprotein P1234 | Authors: | Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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5GMT
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5GVD
| Human TDRD3 DUF1767-OB domains | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor Sci Rep, 7, 2017
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1C6Y
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6RM1
| Human Carbonic Anhydrase II in complex with fragment. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-methylbenzohydrazide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-05-03 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6RMP
| Human Carbonic Anhydrase II in complex with fragment. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-(dimethylamino)benzohydrazide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-05-07 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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5OF3
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7R57
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5GVE
| Human TOP3B-TDRD3 complex | Descriptor: | DNA topoisomerase 3-beta-1, MAGNESIUM ION, Tudor domain-containing protein 3 | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.606 Å) | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor Sci Rep, 7, 2017
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