5MVV
 
 | | Crystal structure of Plasmodium falciparum actin I- gelsolin segment 1 -CdATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-1, CADMIUM ION, ... | | Authors: | Panneerselvam, S, Kumpula, E.-P, Kursula, I, Burkhardt, A, Meents, A. | | Deposit date: | 2017-01-17 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
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9EQ1
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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5KGE
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5MYV
 | | Crystal structure of SRPK2 in complex with compound 1 | | Descriptor: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ... | | Authors: | Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-01-29 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
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5K8R
 | | Structure of human clustered protocadherin gamma B3 EC1-4 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Nicoludis, J.M, Vogt, B.E, Gaudet, R. | | Deposit date: | 2016-05-30 | | Release date: | 2016-08-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4.
Elife, 5, 2016
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5MXD
 | | BACE-1 IN COMPLEX WITH LIGAND 32397778 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | | Authors: | Alexander, R. | | Deposit date: | 2017-01-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Human Beta Secretase 1 In Complex With Ligand 32397778
to be published
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8FS5
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 3 (open 9-1-1 and stably bound chamber DNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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8FS4
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 2 (open 9-1-1 ring and flexibly bound chamber DNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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5KGD
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8FS3
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 1 (open 9-1-1 and shoulder bound DNA only) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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8FS7
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 5 (closed 9-1-1 and stably bound chamber DNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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8FS8
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 5-nt gapped DNA (9-1-1 encircling fully bound DNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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8FS6
 | | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 4 (partially closed 9-1-1 and stably bound chamber DNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | | Deposit date: | 2023-01-09 | | Release date: | 2023-06-14 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
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5N21
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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8DOM
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5NBV
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8S8W
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug discovery
Elife, 2024
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9NBG
 | | H-1 Parvovirus VLP - Glycan [s(Lex)2] | | Descriptor: | Major capsid protein, N-acetyl-alpha-neuraminic acid-(2-3)-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Busuttil, K.B, Bennett, A.B, McKenna, R. | | Deposit date: | 2025-02-13 | | Release date: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Mapping the Sialic Acid Binding Sites of LuIII and H-1 Parvovirus
To Be Published
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7NOX
 | | Structure of SGBP BO2743 from Bacteroides ovatus in complex with mixed-linked gluco-nonasaccharide | | Descriptor: | AZIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
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8JTX
 | | hOCT1 in complex with nb5660 in inward facing fully open conformation | | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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9OH7
 | | M13F/H117A/M121H Azurin with Cu(II), pH 7.4 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | | Authors: | Van Stappen, C, Lu, Y. | | Deposit date: | 2025-05-02 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Beyond Blue: Systematic Modulation of Electronic Structure and Redox Properties of Type 1 Copper in Azurin.
J.Am.Chem.Soc., 147, 2025
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5KSJ
 | | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | | Deposit date: | 2016-07-08 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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9OH6
 | | H117A/M121H Azurin with Cu(II), pH 7.7 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | | Authors: | Van Stappen, C, Lu, Y. | | Deposit date: | 2025-05-02 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Beyond Blue: Systematic Modulation of Electronic Structure and Redox Properties of Type 1 Copper in Azurin.
J.Am.Chem.Soc., 147, 2025
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8X41
 | | Crystal structure of DIMT1 in complex with 5'-methylthioadenosine and adenosine from Pyrococcus horikoshii | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, ... | | Authors: | Saha, S, Mandal, S.K, Dutta, A, Kanaujia, S.P. | | Deposit date: | 2023-11-14 | | Release date: | 2024-08-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 32, 2024
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5KML
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