8Q9L
 
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5FBN
 | | BTK kinase domain with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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8PN6
 | | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
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8HEN
 | | Crystal structure of CTSB in complex with 212-148 | | Descriptor: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8Q9O
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5CUI
 | | Crystal structure of Human Defensin-5 R28A mutant. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ... | | Authors: | Tolbert, W.D, Gohain, N, Pazgier, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
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8QCP
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6G6P
 | | Crystal structure of the computationally designed Ika8 protein: crystal packing No.2 in P63 | | Descriptor: | Ika8 | | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2018-04-01 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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6C4P
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-12 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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8Q7T
 | | Tau - AD-MIA11 | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2023-08-17 | | Release date: | 2023-08-30 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
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8TYI
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8Q99
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8Q7P
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8Q9H
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6FQM
 | | 3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA | | Descriptor: | 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
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8Q2L
 | | Tau - AD-MIA4 | | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | | Authors: | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2023-08-02 | | Release date: | 2023-09-20 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
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8Q97
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7A98
 | | SARS-CoV-2 Spike Glycoprotein with 3 ACE2 Bound | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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8Q9D
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7T0S
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11864 | | Descriptor: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-11-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the BCL6 BTB domain in complex with OICR-11864
To Be Published
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5KEV
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8Q8L
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5LVO
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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7QUU
 | | Red1-Iss10 complex | | Descriptor: | NURS complex subunit red1, Uncharacterized protein C7D4.14c | | Authors: | Mackereth, C.D, Kadlec, J, Laroussi, H. | | Deposit date: | 2022-01-18 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex.
Nat Commun, 13, 2022
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8Q8W
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