1B6X
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![BU of 1b6x by Molmil](/molmil-images/mine/1b6x) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE GUANINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 4 STRUCTURES | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*GP*GP*TP*AP*CP*G)-3' | Authors: | Cullinan, D, Johnson, F, Grollman, A.P, Eisenberg, M, De Los Santos, C. | Deposit date: | 1999-01-19 | Release date: | 1999-01-27 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyguanosine. Biochemistry, 36, 1997
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1B60
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![BU of 1b60 by Molmil](/molmil-images/mine/1b60) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE CYTIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3') | Authors: | Cullinan, D, Johnson, F, De Los Santos, C. | Deposit date: | 1999-01-20 | Release date: | 2000-02-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of an 11-mer duplex containing the 3, N(4)-ethenocytosine adduct opposite 2'-deoxycytidine: implications for the recognition of exocyclic lesions by DNA glycosylases. J.Mol.Biol., 296, 2000
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7AOP
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![BU of 7aop by Molmil](/molmil-images/mine/7aop) | Structure of NUDT15 in complex with inhibitor TH8321 | Descriptor: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | Deposit date: | 2020-10-14 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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7AOM
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![BU of 7aom by Molmil](/molmil-images/mine/7aom) | Structure of NUDT15 in complex with Ganciclovir triphosphate | Descriptor: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | Deposit date: | 2020-10-14 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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7PB8
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![BU of 7pb8 by Molmil](/molmil-images/mine/7pb8) | Crystal structure of the CENP-OPQUR complex | Descriptor: | Centromere protein O, Centromere protein P, Centromere protein Q, ... | Authors: | Bellini, D, Yatskevich, S, Muir, K.W, Barford, D. | Deposit date: | 2021-07-31 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
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7PB4
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![BU of 7pb4 by Molmil](/molmil-images/mine/7pb4) | Cenp-HIK 3-protein complex | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K | Authors: | Bellini, D, Yatskevich, S, Muir, W.K, Barford, D. | Deposit date: | 2021-07-30 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
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4W9A
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![BU of 4w9a by Molmil](/molmil-images/mine/4w9a) | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 | Descriptor: | Gamma-crystallin B | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | Deposit date: | 2014-08-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
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7Q39
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![BU of 7q39 by Molmil](/molmil-images/mine/7q39) | |
7Q3C
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![BU of 7q3c by Molmil](/molmil-images/mine/7q3c) | |
4YMG
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![BU of 4ymg by Molmil](/molmil-images/mine/4ymg) | Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ... | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | Deposit date: | 2015-03-06 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina. J.Biol.Chem., 290, 2015
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6YPC
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![BU of 6ypc by Molmil](/molmil-images/mine/6ypc) | Crystal structure of the kinetochore subunits H/I/K/T/W penta-complex from S. cerevisiae at 2.9 angstroms | Descriptor: | Inner kinetochore subunit CNN1, Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, ... | Authors: | Bellini, D, Zhang, Z, Barford, D. | Deposit date: | 2020-04-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the Cenp-HIKHead-TW sub-module of the inner kinetochore CCAN complex. Nucleic Acids Res., 48, 2020
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4W9B
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![BU of 4w9b by Molmil](/molmil-images/mine/4w9b) | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1 | Descriptor: | Gamma-crystallin B | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | Deposit date: | 2014-08-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
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7NR6
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![BU of 7nr6 by Molmil](/molmil-images/mine/7nr6) | Structure of NUDT15 in complex with NSC56456 | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2021-03-03 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coupling cellular target engagement to drug-induced responses with CeTEAM To Be Published
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7P4Z
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![BU of 7p4z by Molmil](/molmil-images/mine/7p4z) | |
7P4W
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![BU of 7p4w by Molmil](/molmil-images/mine/7p4w) | |
6HL0
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![BU of 6hl0 by Molmil](/molmil-images/mine/6hl0) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide | Descriptor: | Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HL1
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![BU of 6hl1 by Molmil](/molmil-images/mine/6hl1) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | Descriptor: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | Authors: | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | Deposit date: | 2018-09-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6HBN
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![BU of 6hbn by Molmil](/molmil-images/mine/6hbn) | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | Descriptor: | 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-08-10 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HMD
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![BU of 6hmd by Molmil](/molmil-images/mine/6hmd) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18 | Descriptor: | 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HMC
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![BU of 6hmc by Molmil](/molmil-images/mine/6hmc) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | Descriptor: | 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HMQ
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![BU of 6hmq by Molmil](/molmil-images/mine/6hmq) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HMB
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![BU of 6hmb by Molmil](/molmil-images/mine/6hmb) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib) | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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6HME
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![BU of 6hme by Molmil](/molmil-images/mine/6hme) | LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | Descriptor: | 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. | Deposit date: | 2018-09-12 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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5IA4
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![BU of 5ia4 by Molmil](/molmil-images/mine/5ia4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5I9U
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![BU of 5i9u by Molmil](/molmil-images/mine/5i9u) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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