4O6A
 
 | | Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA | | Descriptor: | Cyclic GMP-AMP synthase, DNA1, DNA2, ... | | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | | Deposit date: | 2013-12-20 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
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4WDX
 | | 17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | | Authors: | Amano, Y, Yamaguchi, T. | | Deposit date: | 2014-09-09 | | Release date: | 2015-04-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
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7LTN
 | | Crystal structure of Mpro in complex with inhibitor CDD-1713 | | Descriptor: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | | Authors: | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | | Deposit date: | 2021-02-19 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LS2
 | | 80S ribosome from mouse bound to eEF2 (Class I) | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T. | | Deposit date: | 2021-02-17 | | Release date: | 2021-11-03 | | Last modified: | 2021-12-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
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7QP0
 | | Crystal structure of metacaspase from candida glabrata with magnesium | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1 | | Authors: | Conchou, L, Ballut, L, Violot, S, Aghajari, N. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
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7QOU
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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4USM
 | | WcbL complex with glycerol bound to sugar site | | Descriptor: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | | Deposit date: | 2014-07-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
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4UTM
 | | XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 8-HYDROXYCOUMARIN, SULFATE ION, ... | | Authors: | Werther, T, Dobbek, H. | | Deposit date: | 2014-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
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7QOV
 | | The wild type nitrile hydratase from Geobacillus pallidus | | Descriptor: | CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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4UVY
 | | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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4V02
 | | MinC:MinD cell division protein complex, Aquifex aeolicus | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ... | | Authors: | Ghosal, D, Lowe, J. | | Deposit date: | 2014-09-10 | | Release date: | 2015-01-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Nat.Commun., 5, 2014
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4V1P
 | | BTN3 Structure | | Descriptor: | BUTYROPHILIN SUBFAMILY 3 MEMBER A1 | | Authors: | James, L.C. | | Deposit date: | 2014-09-30 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Activation of Human Gammadelta T Cells by Cytosolic Interactions of Btn3A1 with Soluble Phosphoantigens and the Cytoskeletal Adaptor Periplakin.
J.Immunol., 194, 2015
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7QOY
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (III) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
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7LLI
 | | Stimulatory immune receptor protein complex | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | | Deposit date: | 2021-02-04 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6JYR
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7LLJ
 | | Inhibitory immune receptor protein complex | | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ... | | Authors: | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | | Deposit date: | 2021-02-04 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7QOP
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-24 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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7QRA
 | | Crystal structure of CK1 delta in complex with VN725 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... | | Authors: | Chaikuad, A, Nemec, V, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-01-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4UYE
 | | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide | | Descriptor: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide, PEREGRIN | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2014-08-30 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
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5DJ2
 | | Fc Heterodimer Design 7.4 Y407A + T366V/K409V | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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7QTG
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 | | Descriptor: | FE (II) ION, PlaO1, SULFATE ION | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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7LB8
 | | Structure of a ferrichrome importer FhuCDB from E. coli | | Descriptor: | Iron(3+)-hydroxamate import ATP-binding protein FhuC, Iron(3+)-hydroxamate import system permease protein FhuB, Iron(3+)-hydroxamate-binding protein FhuD | | Authors: | Hu, W, Zheng, H. | | Deposit date: | 2021-01-07 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM reveals unique structural features of the FhuCDB Escherichia coli ferrichrome importer.
Commun Biol, 4, 2021
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5DJD
 | | Fc Heterodimer Design 5.1 T366V + Y407F | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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7QVO
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with guanidine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2022-01-22 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7QR9
 | | Crystal structure of CK1 delta in complex with PK-09-82 | | Descriptor: | 1,2-ETHANEDIOL, 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... | | Authors: | Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-01-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
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