9C8N
 
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with AMPPNP and compound 1 | | Descriptor: | 1-[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-methoxyethan-1-one, Cyclic GMP-AMP synthase, GLYCEROL, ... | | Authors: | Wang, L, Sietsema, D. | | Deposit date: | 2024-06-12 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insight into the cGAS active site explains differences between therapeutically relevant species.
Commun Chem, 8, 2025
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1ZUR
 | | Crystal structure of spin labeled T4 Lysozyme (V131R1F) | | Descriptor: | CHLORIDE ION, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L. | | Deposit date: | 2005-05-31 | | Release date: | 2006-10-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of spin labeled T4 Lysozyme (V131R1F)
To be Published
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7M71
 | | SARS-CoV-2 Spike:5A6 Fab complex I focused refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-26 | | Release date: | 2021-05-26 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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7M7B
 | | SARS-CoV-2 Spike:Fab 3D11 complex focused refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-27 | | Release date: | 2021-05-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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8T1K
 | | DSBU crosslinked nNOS-CaM oxygenase homodimer | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
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8T1J
 | | Uncrosslinked nNOS-CaM oxygenase homodimer | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
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3QCX
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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3QCQ
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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7OJ8
 | | ABCG2 E1S turnover-2 state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-14 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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7OJH
 | | ABCG2 topotecan turnover-1 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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7OJI
 | | ABCG2 topotecan turnover-2 state | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | | Deposit date: | 2021-05-16 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
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3Q27
 | | Cyrstal structure of human alpha-synuclein (32-57) fused to maltose binding protein (MBP) | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ... | | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2010-12-19 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation
Protein Sci., 20, 2011
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2JF5
 | | crystal structure of Lys63-linked di-ubiquitin | | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Komander, D, Odenwaelder, P, Barford, D. | | Deposit date: | 2007-01-26 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular Discrimination of Structurally Equivalent Lys 63-Linked and Linear Polyubiquitin Chains.
Embo Rep., 10, 2009
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3Q0Y
 | | N-terminal domain of C. reinhardtii SAS-6 homolog Bld12p | | Descriptor: | Centriole protein | | Authors: | Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. | | Deposit date: | 2010-12-16 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of the 9-fold symmetry of centrioles.
Cell(Cambridge,Mass.), 144, 2011
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7MJR
 | | Vip4Da2 toxin structure | | Descriptor: | CALCIUM ION, SULFATE ION, Vip4Da1 protein | | Authors: | Rydel, T.J, Duda, D, Zheng, M, Henry, A. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm.
Plos One, 16, 2021
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1C7E
 | | D95E HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | McCarthy, A, Walsh, M, Higgins, T, D'Arcy, D. | | Deposit date: | 2000-02-16 | | Release date: | 2000-08-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallographic Investigation of the Role of Aspartate 95 in the Modulation of the Redox Potentials Of Desulfovibrio Vulgaris Flavodoxin
Biochemistry, 41, 2002
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7MHF
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHG
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5302 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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7MHL
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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1ZS2
 | | Amylosucrase Mutant E328Q in a ternary complex with sucrose and maltoheptaose | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, amylosucrase, ... | | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, van der Veen, B.A, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | | Deposit date: | 2005-05-23 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of the Glu328Gln mutant of Neisseria polysaccharea amylosucrase in complex with sucrose and maltoheptaose
BIOCATAL.BIOTRANSFOR., 24, 2006
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7MHM
 | | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | | Deposit date: | 2021-04-15 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5302 Å) | | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
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3Q28
 | | Cyrstal structure of human alpha-synuclein (58-79) fused to maltose binding protein (MBP) | | Descriptor: | Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2010-12-19 | | Release date: | 2011-06-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation
Protein Sci., 20, 2011
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5MQ7
 | | Structure of AaLS-13 | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
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9DB5
 | | A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker | | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D. | | Deposit date: | 2024-08-23 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
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9DAM
 | | Crystal Structure of a DARPin Fused to the 1TEL Crystallization Chaperone via a Direct Helical Fusion in a 3-Fold Crystal Form | | Descriptor: | ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D. | | Deposit date: | 2024-08-22 | | Release date: | 2024-10-09 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent
To Be Published
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