8CG7
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![BU of 8cg7 by Molmil](/molmil-images/mine/8cg7) | Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION | Authors: | Balourdas, D.I, Pichon, M.M, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation. Bioconjug.Chem., 34, 2023
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8COH
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![BU of 8coh by Molmil](/molmil-images/mine/8coh) | Structure of the complement C5 specific nanobody TPP-3444 | Descriptor: | CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444 | Authors: | Pedersen, D.V, Andersen, G.R. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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8COE
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![BU of 8coe by Molmil](/molmil-images/mine/8coe) | complement C5 in complex with the LCP0195 nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ... | Authors: | Andersen, G.R, Pedersen, D.V. | Deposit date: | 2023-02-28 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration. Mol.Immunol., 165, 2023
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8PPR
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![BU of 8ppr by Molmil](/molmil-images/mine/8ppr) | |
7PRW
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![BU of 7prw by Molmil](/molmil-images/mine/7prw) | The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*CP*GP*GP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*TP*GP*TP*AP*C)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRV
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![BU of 7prv by Molmil](/molmil-images/mine/7prv) | The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp | Descriptor: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ... | Authors: | Postel, S, Edman, K, Wissler, L. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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7PRX
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![BU of 7prx by Molmil](/molmil-images/mine/7prx) | wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment | Descriptor: | Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat | Authors: | Edman, K, Wissler, L, Koehler, C, Postel, S. | Deposit date: | 2021-09-22 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication. Nat.Struct.Mol.Biol., 30, 2023
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8QCD
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![BU of 8qcd by Molmil](/molmil-images/mine/8qcd) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE | Descriptor: | 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha' | Authors: | Werner, C, Niefind, K. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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8QBU
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![BU of 8qbu by Molmil](/molmil-images/mine/8qbu) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA) | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, ... | Authors: | Werner, C, Niefind, K. | Deposit date: | 2023-08-25 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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5ZBQ
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![BU of 5zbq by Molmil](/molmil-images/mine/5zbq) | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2018-02-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor Nature, 556, 2018
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8BUM
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![BU of 8bum by Molmil](/molmil-images/mine/8bum) | Structure of DDB1 bound to DS15-engaged CDK12-cyclin K | Descriptor: | (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-20 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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1BYI
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![BU of 1byi by Molmil](/molmil-images/mine/1byi) | STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION | Descriptor: | DETHIOBIOTIN SYNTHASE | Authors: | Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y. | Deposit date: | 1998-10-15 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure of dethiobiotin synthetase at 0.97 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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5WRN
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![BU of 5wrn by Molmil](/molmil-images/mine/5wrn) | |
5UR5
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![BU of 5ur5 by Molmil](/molmil-images/mine/5ur5) | PYR1 bound to the rationally designed agonist 4m | Descriptor: | Abscisic acid receptor PYR1, GLYCEROL, N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
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5UR6
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![BU of 5ur6 by Molmil](/molmil-images/mine/5ur6) | PYR1 bound to the rationally designed agonist cyanabactin | Descriptor: | Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
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6AXL
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![BU of 6axl by Molmil](/molmil-images/mine/6axl) | Crystal structure of Fab317 complex | Descriptor: | Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2 | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6AXK
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![BU of 6axk by Molmil](/molmil-images/mine/6axk) | Crystal structure of Fab311 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN, Fab311 heavy chain, ... | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6W05
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6W00
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![BU of 6w00 by Molmil](/molmil-images/mine/6w00) | Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein | Descriptor: | Fab239 heavy chain, Fab239 light chain, Immunoglobulin G-binding protein G, ... | Authors: | Pholcharee, T, Oyen, D, Wilson, I.A. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum. Nat Commun, 12, 2021
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3KB7
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![BU of 3kb7 by Molmil](/molmil-images/mine/3kb7) | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | Authors: | Bossi, R.T, Bertrand, J.A. | Deposit date: | 2009-10-20 | Release date: | 2010-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors J.Med.Chem., 53, 2010
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7LNM
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![BU of 7lnm by Molmil](/molmil-images/mine/7lnm) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid | Descriptor: | (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Catlin, D, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-07 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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1BS1
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![BU of 1bs1 by Molmil](/molmil-images/mine/1bs1) | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM | Descriptor: | 8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | Deposit date: | 1998-08-31 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis. Protein Sci., 7, 1998
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1AJ6
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![BU of 1aj6 by Molmil](/molmil-images/mine/1aj6) | |
8PXS
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![BU of 8pxs by Molmil](/molmil-images/mine/8pxs) | Short RNA binding to peptide amyloids | Descriptor: | RNA (5'-R(P*GP*UP*CP*A)-3'), VAL-ALA-GLN-ALA-GLN-ILE-ASN-ILE | Authors: | Rout, S.K, Cadalbert, R, Schroder, N, Wiegand, T, Zehnder, J, Gampp, O, Guntert, P, Kringler, D, Kreutz, C, Knorlein, A, Hall, J, Greenwald, J, Riek, R. | Deposit date: | 2023-07-24 | Release date: | 2023-10-18 | Method: | SOLID-STATE NMR | Cite: | An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA. J.Am.Chem.Soc., 145, 2023
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8F0Q
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![BU of 8f0q by Molmil](/molmil-images/mine/8f0q) | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ... | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | Deposit date: | 2022-11-03 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors. Elife, 12, 2023
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