5VTP
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5VWW
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![BU of 5vww by Molmil](/molmil-images/mine/5vww) | Bak core latch dimer in complex with Bim-RT - Tetragonal | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5WOS
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5W7W
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![BU of 5w7w by Molmil](/molmil-images/mine/5w7w) | Crystal Structure of FHA domain of human APLF | Descriptor: | Aprataxin and PNK-like factor, FORMIC ACID, SODIUM ION | Authors: | Pedersen, L.C, Kim, K, London, R.E. | Deposit date: | 2017-06-21 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.348 Å) | Cite: | Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications. Nucleic Acids Res., 45, 2017
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5LSX
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![BU of 5lsx by Molmil](/molmil-images/mine/5lsx) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5WDI
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![BU of 5wdi by Molmil](/molmil-images/mine/5wdi) | Structure of Human Sts-2 histidine phosphatase domain | Descriptor: | SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A | Authors: | Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B. | Deposit date: | 2017-07-05 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2. Biochemistry, 56, 2017
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5V4K
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![BU of 5v4k by Molmil](/molmil-images/mine/5v4k) | Crystal structure of NEDD4 LIR-fused human LC3B_2-119 | Descriptor: | GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B,Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | Authors: | Qiu, Y, Zheng, Y, Schulman, B. | Deposit date: | 2017-03-09 | Release date: | 2017-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Insights into links between autophagy and the ubiquitin system from the structure of LC3B bound to the LIR motif from the E3 ligase NEDD4. Protein Sci., 26, 2017
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5V5N
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![BU of 5v5n by Molmil](/molmil-images/mine/5v5n) | Crystal structure of Takinib bound to TAK1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | Authors: | Gurbani, D, Westover, K, Bera, A.K. | Deposit date: | 2017-03-14 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease. Cell Chem Biol, 24, 2017
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7MJU
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7KQ1
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![BU of 7kq1 by Molmil](/molmil-images/mine/7kq1) | PCNA bound to truncated peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
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5Z8I
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7KQ0
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![BU of 7kq0 by Molmil](/molmil-images/mine/7kq0) | PCNA bound to peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B.A, Bruning, J.B. | Deposit date: | 2020-11-13 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA. J.Biol.Chem., 296, 2021
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5Z8Q
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5WC2
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![BU of 5wc2 by Molmil](/molmil-images/mine/5wc2) | Crystal Structure of ADP-bound human TRIP13 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog | Authors: | Jeong, B.-C, Luo, X. | Deposit date: | 2017-06-29 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing. Nat Commun, 8, 2017
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7D2L
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![BU of 7d2l by Molmil](/molmil-images/mine/7d2l) | Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | Descriptor: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-16 | Release date: | 2021-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D8C
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![BU of 7d8c by Molmil](/molmil-images/mine/7d8c) | Crystal structure of the Cas12i1-crRNA binary complex | Descriptor: | 12i1, CITRIC ACID, RNA (3-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-10-07 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D3J
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![BU of 7d3j by Molmil](/molmil-images/mine/7d3j) | Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage | Descriptor: | 12i1-WT, CITRIC ACID, DNA (23-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-19 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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5M32
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![BU of 5m32 by Molmil](/molmil-images/mine/5m32) | Human 26S proteasome in complex with Oprozomib | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | Authors: | Haselbach, D, Schrader, J, Lambrecht, F, Henneberg, F, Chari, A, Stark, H. | Deposit date: | 2016-10-14 | Release date: | 2017-07-05 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs. Nat Commun, 8, 2017
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5VAY
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5LSY
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![BU of 5lsy by Molmil](/molmil-images/mine/5lsy) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LT6
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![BU of 5lt6 by Molmil](/molmil-images/mine/5lt6) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-06 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5UNA
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![BU of 5una by Molmil](/molmil-images/mine/5una) | Fragment of 7SK snRNA methylphosphate capping enzyme | Descriptor: | 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment | Authors: | Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-30 | Release date: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment of 7SK snRNA methylphosphate capping enzyme To Be Published
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8BCQ
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![BU of 8bcq by Molmil](/molmil-images/mine/8bcq) | N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (native crystal structure) | Descriptor: | GLYCEROL, Glutamate--tRNA ligase, SULFATE ION | Authors: | Benas, P, Jaramillo Ponce, J.R, Frugier, M, Sauter, C. | Deposit date: | 2022-10-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes. Protein Sci., 32, 2023
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5LSS
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5X1W
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![BU of 5x1w by Molmil](/molmil-images/mine/5x1w) | PKM2 in complex with compound 5 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2017-01-27 | Release date: | 2017-05-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator Bioorg. Med. Chem., 25, 2017
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