6O95
 
 | | Structure of the IRAK4 kinase domain with compound 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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7ND4
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-88 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-88 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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197L
 | | THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | | Authors: | Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W. | | Deposit date: | 1995-11-06 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
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7ND3
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-40 heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND8
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-384 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-384 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NDC
 | | EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND7
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND9
 | | EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-253H55L Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NDD
 | | EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-159 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NDA
 | | EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-253H55L Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND5
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-150 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND6
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NDB
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-253H165L Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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6O94
 | | Structure of the IRAK4 kinase domain with compound 17 | | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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1A6S
 | | M-DOMAIN FROM GAG POLYPROTEIN OF ROUS SARCOMA VIRUS, NMR, 20 STRUCTURES | | Descriptor: | GAG POLYPROTEIN | | Authors: | Mcdonnell, J.M, Fushman, D, Cahill, S.M, Zhou, W, Wolven, A, Wilson, C.B, Nelle, T.D, Resh, M.D, Wills, J, Cowburn, D. | | Deposit date: | 1998-03-02 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the bioactive retroviral M domain from Rous sarcoma virus
J.Mol.Biol., 279, 1998
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8BS0
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 80 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8BRZ
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 52 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8BRY
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at atmospheric pressure | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8EQN
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1AHC
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1AHA
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ADENINE, ALPHA-MOMORCHARIN | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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1AHB
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ALPHA-MOMORCHARIN, FORMYCIN-5'-MONOPHOSPHATE | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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2XWT
 | | CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ... | | Authors: | Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B. | | Deposit date: | 2010-11-05 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody.
J.Mol.Endocrinol., 46, 2011
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8D8R
 | | SARS-CoV-2 Spike RBD in complex with DMAb 2196 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ... | | Authors: | Du, J, Cui, J, Pallesen, J. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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