7PQ6
 
 | | Crystal Structure of the Ring Nuclease 0811 mutant-S12A from Sulfolobus islandicus (Sis0811) | | Descriptor: | CRISPR-associated protein, APE2256 family | | Authors: | Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G. | | Deposit date: | 2021-09-16 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
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7Q4M
 | | Type II beta-amyloid 42 Filaments from Human Brain | | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-11-01 | | Release date: | 2021-11-24 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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4YYR
 | | Ficin B crystal form I | | Descriptor: | Ficin B, SULFATE ION | | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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1A5G
 | | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | | Deposit date: | 1998-02-16 | | Release date: | 1998-05-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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4Z9X
 | | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus pyogenes | | Descriptor: | Gluconate 5-dehydrogenase | | Authors: | Maruyama, Y, Takase, R, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2015-04-13 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural determinants in bacterial 2-keto-3-deoxy-D-gluconate dehydrogenase KduD for dual-coenzyme specificity
Proteins, 84, 2016
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7Q4B
 | | Type I beta-amyloid 42 Filaments from Human Brain | | Descriptor: | Amyloid-beta precursor protein, UNKNOWN ATOM OR ION | | Authors: | Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-10-30 | | Release date: | 2021-11-24 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
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6QGH
 | | Structure of human Bcl-2 in complex with ABT-263 | | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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4ZLX
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7PQA
 | | Crystal Structure of the Ring Nuclease 0811 mutant-S12G/K169G from Sulfolobus islandicus (Sis0811) | | Descriptor: | CRISPR-associated protein, APE2256 family | | Authors: | Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G. | | Deposit date: | 2021-09-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
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7PQ5
 | | Photorhabdus laumondii T6SS-associated Rhs protein carrying the Tre23 toxin domain | | Descriptor: | Tre23 | | Authors: | Jurenas, D, Talachia Rosa, L, Rey, M, Chamot-Rooke, J, Fronzes, R, Cascales, E. | | Deposit date: | 2021-09-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Mounting, structure and autocleavage of a type VI secretion-associated Rhs polymorphic toxin.
Nat Commun, 12, 2021
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3TOY
 | | CRYSTAL STRUCTURE OF ENOLASE BRADO_4202 (TARGET EFI-501651) FROM Bradyrhizobium sp. ORS278 WITH CALCIUM AND ACETATE BOUND | | Descriptor: | ACETATE ION, CALCIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, ... | | Authors: | Patskovsky, Y, Kim, J, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammond, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-09-06 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CRYSTAL STRUCTURE OF MANDELATE RACEMASE FROM Bradyrhizobium sp. ORS278
To be Published
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4Z32
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7UR3
 | | Hsp90 alpha inhibitor | | Descriptor: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | | Authors: | Deng, J, Peng, S, Balch, M, Matts, R. | | Deposit date: | 2022-04-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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8F60
 | | anti-BTLA monoclonal antibody r23C8 in complex with BTLA | | Descriptor: | ACETATE ION, B- and T-lymphocyte attenuator, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | Deposit date: | 2022-11-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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3TWB
 | | Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 complexed with magnesium and gluconic acid | | Descriptor: | CHLORIDE ION, D-gluconic acid, GLYCEROL, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of Gluconate Dehydratase from Salmonella Enterica P125109
To be Published
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8F6O
 | | anti-BTLA monoclonal antibody h22B3 in complex with BTLA | | Descriptor: | B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain | | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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1GT9
 | | High resolution crystal structure of a thermostable serine-carboxyl type proteinase, kumamolisin (kscp) | | Descriptor: | CALCIUM ION, KUMAMOLYSIN, SULFATE ION | | Authors: | Comellas-Bigler, M, Fuentes-Prior, P, Maskos, K, Huber, R, Oyama, H, Uchida, K, Dunn, B.M, Oda, K, Bode, W. | | Deposit date: | 2002-01-14 | | Release date: | 2002-06-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
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1CEN
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7JIW
 | | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
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8EMV
 | | Phospholipase C beta 3 (PLCb3) in solution | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION | | Authors: | Falzone, M.E, MacKinnon, R. | | Deposit date: | 2022-09-28 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | G beta gamma activates PIP2 hydrolysis by recruiting and orienting PLC beta on the membrane surface.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EMW
 | | Phospholipase C beta 3 (PLCb3) in complex with Gbg on liposomes | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Falzone, M.E, MacKinnon, R. | | Deposit date: | 2022-09-28 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | G beta gamma activates PIP2 hydrolysis by recruiting and orienting PLC beta on the membrane surface.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EMX
 | | Phospholipase C beta 3 (PLCb3) in complex with Gbg on lipid nanodiscs | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Falzone, M.E, MacKinnon, R. | | Deposit date: | 2022-09-28 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | G beta gamma activates PIP2 hydrolysis by recruiting and orienting PLC beta on the membrane surface.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8F6L
 | | anti-BTLA monoclonal antibody h25F7 in complex with BTLA | | Descriptor: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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