6GEQ
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6FVC
| Protein environment affects the water-tryptophan binding mode. Molecular dynamics simulations of Engrailed homeodomain mutants | Descriptor: | Segmentation polarity homeobox protein engrailed | Authors: | Trosanova, Z, Zachrdla, M, Jansen, S, Srb, P, Zidek, L, Kozelka, J. | Deposit date: | 2018-03-02 | Release date: | 2019-04-03 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Phys Chem Chem Phys, 20, 2018
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6FSA
| Beta-Cardiac myosin post-rigor | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, ... | Authors: | Robert-Paganin, J, Auguin, D, Houdusse, A. | Deposit date: | 2018-02-19 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Hypertrophic cardiomyopathy disease results from disparate impairments of cardiac myosin function and auto-inhibition. Nat Commun, 9, 2018
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6EID
| Crystal structure of wild-type Channelrhodopsin 2 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Archaeal-type opsin 2, PHOSPHATE ION, ... | Authors: | Borshchevskiy, V, Kovalev, K, Volkov, O, Polovinkin, V, Marin, E, Balandin, T, Astashkin, R, Bamann, C, Bueldt, G, Willlbold, D, Popov, A, Bamberg, E, Gordeliy, V. | Deposit date: | 2017-09-19 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural insights into ion conduction by channelrhodopsin 2. Science, 358, 2017
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3CXZ
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3CXY
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3CXX
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3CXV
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3CY0
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4CQI
| Crystal structure of recombinant tubulin-binding cofactor A (TBCA) from Leishmania major | Descriptor: | GLYCEROL, SULFATE ION, TUBULIN-BINDING COFACTOR A | Authors: | Barrack, K.L, Fyfe, P.K, Hunter, W.N. | Deposit date: | 2014-02-17 | Release date: | 2014-11-26 | Last modified: | 2015-05-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of Tubulin-Binding Cofactor a from Leishmania Major Infers a Mode of Association During the Early Stages of Microtubule Assembly Acta Crystallogr.,Sect.F, 71, 2015
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4DAJ
| Structure of the M3 Muscarinic Acetylcholine Receptor | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | Authors: | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | Deposit date: | 2012-01-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature, 482, 2012
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4F2Y
| Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(XTF)P*AP*CP*GP*C)-3', MAGNESIUM ION | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2012-05-08 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA. J.Org.Chem., 77, 2012
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4F2X
| Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Heptamer | Descriptor: | 5'-D(*CP*GP*CP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*(XTF)P*GP*CP*G)-3', COBALT (III) ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2012-05-08 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA. J.Org.Chem., 77, 2012
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6RQ5
| CYP121 in complex with 3,5-dimethyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6S7H
| Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state | Descriptor: | (N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP, 5'-nucleotidase, CALCIUM ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2019-07-04 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy Adv Ther, 2019
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6RQE
| CYP121 in complex with 3-acetylene dicyclotyrosine | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQ8
| CYP121 in complex with 3-iodo dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6S7F
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6RQ0
| CYP121 in complex with 3-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQD
| CYP121 in complex with 3-chloro dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RQ9
| CYP121 in complex with O-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6RF3
| Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, SODIUM ION, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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6RQ6
| CYP121 in complex with 3-fluoro dicyclotyrosine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-fluoro dicyclotyrosine, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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6T0H
| Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | Descriptor: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6LWC
| Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing spiroiminodihydantoin (Sp) | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2020-02-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
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