8C70
 
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6S
 | | Fragment screening hit III bound to endothiapepsin | | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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5JBL
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4USI
 | | Nitrogen regulatory protein PII from Chlamydomonas reinhardtii in complex with MgATP and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Chellamuthu, V.R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2014-07-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Cell(Cambridge,Mass.), 159, 2014
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5J7O
 | | Faustovirus major capsid protein | | Descriptor: | major capsid protein, unknown | | Authors: | Klose, T, Rossmann, M.G. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4UV0
 | | Structure of a semisynthetic phosphorylated DAPK | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | | Authors: | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | | Deposit date: | 2014-08-01 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
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1HF0
 | | Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer | | Descriptor: | DNA 5'-D(*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP* CP*AP*AP*AP*TP*GP*GP*AP*G)-3', DNA 5'-D(*CP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP* TP*CP*AP*AP*AP*TP*GP*TP*G)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M. | | Deposit date: | 2000-11-27 | | Release date: | 2001-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
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2A08
 | | Structure of the yeast YHH6 SH3 domain | | Descriptor: | Hypothetical 41.8 kDa protein in SPO13-ARG4 intergenic region | | Authors: | Kursula, P, Kursula, I, Song, Y.H, Lehmann, F, Zou, P, Wilmanns, M. | | Deposit date: | 2005-06-16 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 3-D proteome of yeast SH3 domains
To be Published
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2UYZ
 | | Non-covalent complex between Ubc9 and SUMO1 | | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, SUMO-CONJUGATING ENZYME UBC9 | | Authors: | Knipscheer, P, van Dijk, W.J, Olsen, J.V, Mann, M, Sixma, T.K. | | Deposit date: | 2007-04-21 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Noncovalent interaction between Ubc9 and SUMO promotes SUMO chain formation.
EMBO J., 26, 2007
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2VRR
 | | Structure of SUMO modified Ubc9 | | Descriptor: | FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ... | | Authors: | Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A. | | Deposit date: | 2008-04-13 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Ubc9 sumoylation regulates SUMO target discrimination.
Mol. Cell, 31, 2008
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2A4Z
 | | Crystal Structure of human PI3Kgamma complexed with AS604850 | | Descriptor: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | | Deposit date: | 2005-06-30 | | Release date: | 2005-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
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2AB7
 | | Solution structures and characterization of HIV RRE IIB RNA targeting zinc finger proteins | | Descriptor: | ZINC ION, ZNF29G29R | | Authors: | Mishra, S.H, Shelley, C.M, Darby, M.K, Germann, M.W. | | Deposit date: | 2005-07-14 | | Release date: | 2005-08-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures and characterization of human immunodeficiency virus Rev responsive element IIB RNA targeting zinc finger proteins.
Biopolymers, 83, 2006
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5ANY
 | | Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265 | | Descriptor: | E1, E2, FAB, ... | | Authors: | Fox, J.M, Long, F, Edeling, M.A, Lin, H, Duijl-Richter, M, Fong, R.H, Kahle, K.M, Smit, J.M, Jin, J, Simmons, G, Doranz, B.J, Crowe, J.E, Fremont, D.H, Rossmann, M.G, Diamond, M.S. | | Deposit date: | 2015-09-08 | | Release date: | 2015-11-25 | | Last modified: | 2018-10-03 | | Method: | ELECTRON MICROSCOPY (16.9 Å) | | Cite: | Broadly Neutralizing Alphavirus Antibodies Bind an Epitope on E2 and Inhibit Entry and Egress.
Cell(Cambridge,Mass.), 163, 2015
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4USJ
 | | N-acetylglutamate kinase from Arabidopsis thaliana in complex with PII from Chlamydomonas reinhardtii | | Descriptor: | ACETYLGLUTAMATE KINASE, CHLOROPLASTIC, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chellamuthu, V.R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2014-07-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Cell(Cambridge,Mass.), 159, 2014
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1ZUK
 | | Yeast BBC1 Sh3 domain complexed with a peptide from Las17 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Myosin tail region-interacting protein MTI1, ... | | Authors: | Kursula, P, Kursula, I, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M. | | Deposit date: | 2005-05-31 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural genomics of yeast SH3 domains
To be Published
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7ARV
 | | TwistTower_native-twist | | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | Deposit date: | 2020-10-26 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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7ARY
 | | Twist-Tower_twist-corrected-variant | | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | Deposit date: | 2020-10-26 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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1ZUU
 | | Crystal structure of the yeast Bzz1 first SH3 domain at 0.97-A resolution | | Descriptor: | BZZ1 protein, MAGNESIUM ION, UNKNOWN ATOM OR ION | | Authors: | Kursula, P, Kursula, I, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M. | | Deposit date: | 2005-06-01 | | Release date: | 2006-09-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Structural genomics of yeast SH3 domains
To be Published
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7B7J
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1ZX6
 | | High-resolution crystal structure of yeast Pin3 SH3 domain | | Descriptor: | Ypr154wp | | Authors: | Kursula, P, Kursula, I, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M. | | Deposit date: | 2005-06-07 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural genomics of yeast SH3 domains
To be Published
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-31 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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