8P08
 
 | | Crystal structure of human CLK1 in complex with Leucettinib-21 | | Descriptor: | (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1 | | Authors: | Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human CLK1 bound in complex with Leucettinib-21
To Be Published
|
|
2MBX
 | | Structure, dynamics and stability of allergen cod parvalbumin Gad m 1 by solution and high-pressure NMR. | | Descriptor: | CALCIUM ION, Parvalbumin beta | | Authors: | Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A. | | Deposit date: | 2013-08-07 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution and high-pressure NMR studies of the structure, dynamics, and stability of the cross-reactive allergenic cod parvalbumin Gad m 1.
Proteins, 82, 2014
|
|
8BFS
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 | | Descriptor: | 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... | | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
|
|
9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
To Be Published
|
|
9EPX
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | | Descriptor: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
To Be Published
|
|
9EPY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
To Be Published
|
|
9EPZ
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
To Be Published
|
|
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 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
|
|
9EQ0
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
To Be Published
|
|
9EPW
 | |
3K44
 | | Crystal Structure of Drosophila melanogaster Pur-alpha | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Purine-rich binding protein-alpha, ... | | Authors: | Graebsch, A, Roche, S, Niessing, D. | | Deposit date: | 2009-10-05 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structure of Pur-alpha reveals a Whirly-like fold and an unusual nucleic-acid binding surface
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3N8B
 | | Crystal Structure of Borrelia burgdorferi Pur-alpha | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | Authors: | Graebsch, A, Roche, S, Kostrewa, D, Niessing, D. | | Deposit date: | 2010-05-28 | | Release date: | 2010-10-06 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
|
|
3NM7
 | | Crystal Structure of Borrelia burgdorferi Pur-alpha | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein | | Authors: | Graebsch, A, Roche, S, Kostrewa, D, Niessing, D. | | Deposit date: | 2010-06-22 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Of Bits and Bugs - on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
|
|
6T8N
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
|
|
2TNF
 | | 1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA) | | Authors: | Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J. | | Deposit date: | 1998-10-12 | | Release date: | 1999-10-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization.
Acta Crystallogr.,Sect.D, 55, 1999
|
|
7NBP
 | | Solution structure of DNA duplex containing a 7,8-dihydro-8-oxo-1,N6-ethenoadenine base modification that induces exclusively A->T transversions in Escherichia coli | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3') | | Authors: | Aralov, A.V, Gubina, N, Cabrero, C, Tsvetkov, V.B, Turaev, A.V, Fedeles, B.I, Croy, R.G, Isaakova, E.A, Melnik, D, Dukova, S, Khrulev, A.A, Varizhuk, A.M, Gonzalez, C, Zatsepin, T.S, Essigmann, J.M. | | Deposit date: | 2021-01-27 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 7,8-Dihydro-8-oxo-1,N6-ethenoadenine: an exclusively Hoogsteen-paired thymine mimic in DNA that induces A→T transversions in Escherichia coli.
Nucleic Acids Res., 50, 2022
|
|
7P77
 | | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up conformation | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
7P7A
 | | SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible conformation | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (4.76 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
7P78
 | | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down conformation | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
7P79
 | | SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down conformation. | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
7P7B
 | | SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation | | Descriptor: | Spike glycoprotein | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
6ZS3
 | | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1 | | Authors: | Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-15 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
|
|
6ZS2
 | | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-15 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
|
|
6ZS4
 | | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-15 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
|
|
7BCQ
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | | Descriptor: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
