7AIL
 
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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7AGJ
 | | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | | Deposit date: | 2020-09-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
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5Y6A
 | | Crystal structure of the anti-CRISPR protein, AcrIIA1 | | Descriptor: | chain A and B | | Authors: | Ka, D, An, S.Y, Suh, J.Y, Bae, E. | | Deposit date: | 2017-08-11 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an anti-CRISPR protein, AcrIIA1
Nucleic Acids Res., 46, 2018
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8RU5
 | | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-01-30 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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4DFF
 | | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | | Deposit date: | 2012-01-23 | | Release date: | 2012-03-14 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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8CYK
 | | Crystal structure of hallucinated protein HALC1_878 | | Descriptor: | HALC1_878 | | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
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7AIK
 | | Ribonucleotide Reductase R2 protein from Aquifex aeolicus | | Descriptor: | FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta | | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | | Deposit date: | 2020-09-27 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
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8UT2
 | | Pre-fusion Measles virus fusion protein complexed with Fab 77 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zyla, D, Saphire, E.O. | | Deposit date: | 2023-10-30 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
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8UUP
 | | Structure of the Measles virus Fusion protein in the pre-fusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | | Authors: | Zyla, D, Saphire, E.O. | | Deposit date: | 2023-11-01 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
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8UUQ
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8UTF
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3NS8
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6MEC
 | | Structure of a group II intron retroelement after DNA integration | | Descriptor: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | | Authors: | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | | Deposit date: | 2018-09-06 | | Release date: | 2019-08-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA.
Cell, 178, 2019
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8DF5
 | | SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | | Deposit date: | 2022-06-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Shifting mutational constraints in the SARS-CoV-2 receptor-binding domain during viral evolution.
Science, 377, 2022
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5YFM
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8RU1
 | | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-01-29 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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2BGG
 | | The structure of a Piwi protein from Archaeoglobus fulgidus complexed with a 16nt siRNA duplex. | | Descriptor: | 5'-R(*GP*UP*CP*GP*AP*AP*UP*UP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*GP*CP)-3', MANGANESE (II) ION, ... | | Authors: | Parker, J.S, Roe, S.M, Barford, D. | | Deposit date: | 2004-12-22 | | Release date: | 2005-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights Into Mrna Recognition from a Piwi Domain-Sirna Guide Complex
Nature, 434, 2005
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8RKF
 | | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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2VA7
 | | X-ray crystal structure of beta secretase complexed with compound 27 | | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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5YGY
 | | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | | Deposit date: | 2017-09-27 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain
J. Med. Chem., 61, 2018
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8QRY
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8QV3
 | | Structure of the y-Tubulin Small Complex (yTuSC) as part of the native y-Tubulin Ring Complex (yTuRC) capping microtubule minus ends at the spindle pole body | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component, Spindle pole body component 110, ... | | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | | Deposit date: | 2023-10-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 31, 2024
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6FJS
 | | Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C. | | Deposit date: | 2018-01-23 | | Release date: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography.
IUCrJ, 5, 2018
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8QV2
 | | Structure of the native y-Tubulin Ring Complex (yTuRC) capping microtubule minus ends at the spindle pole body | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component, ... | | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | | Deposit date: | 2023-10-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 31, 2024
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