5M6F
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![BU of 5m6f by Molmil](/molmil-images/mine/5m6f) | Small Molecule inhibitors of IAP | Descriptor: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | Authors: | Williams, P.A. | Deposit date: | 2016-10-25 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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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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5MVL
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![BU of 5mvl by Molmil](/molmil-images/mine/5mvl) | Crystal structure of an A-DNA dodecamer containing 5-bromouracil | Descriptor: | Brominated DNA dodecamer, MAGNESIUM ION | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | Deposit date: | 2017-01-16 | Release date: | 2017-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.405 Å) | Cite: | 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
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5WL3
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![BU of 5wl3 by Molmil](/molmil-images/mine/5wl3) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR2 | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5M6H
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![BU of 5m6h by Molmil](/molmil-images/mine/5m6h) | Small Molecule inhibitors of IAP | Descriptor: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | Authors: | Williams, P.A. | Deposit date: | 2016-10-25 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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5WKS
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![BU of 5wks by Molmil](/molmil-images/mine/5wks) | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL5
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![BU of 5wl5 by Molmil](/molmil-images/mine/5wl5) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.513 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL7
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![BU of 5wl7 by Molmil](/molmil-images/mine/5wl7) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancCHI* | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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6I03
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![BU of 6i03 by Molmil](/molmil-images/mine/6i03) | |
6H8R
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![BU of 6h8r by Molmil](/molmil-images/mine/6h8r) | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | Descriptor: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | Authors: | Hoerer, S, Fiegen, D, Schnapp, G. | Deposit date: | 2018-08-03 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule. J. Med. Chem., 62, 2019
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6H9V
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![BU of 6h9v by Molmil](/molmil-images/mine/6h9v) | |
6HDF
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![BU of 6hdf by Molmil](/molmil-images/mine/6hdf) | D170N variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.4 A. | Descriptor: | 1,2-ETHANEDIOL, Beta-phosphoglucomutase, SODIUM ION | Authors: | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-17 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
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6HDH
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![BU of 6hdh by Molmil](/molmil-images/mine/6hdh) | |
5NMS
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![BU of 5nms by Molmil](/molmil-images/mine/5nms) | Hsp21 dodecamer, structural model based on cryo-EM and homology modelling | Descriptor: | 25.3 kDa heat shock protein, chloroplastic | Authors: | Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C. | Deposit date: | 2017-04-07 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity. J. Biol. Chem., 292, 2017
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6HFT
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![BU of 6hft by Molmil](/molmil-images/mine/6hft) | |
6I4X
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![BU of 6i4x by Molmil](/molmil-images/mine/6i4x) | Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | Authors: | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | Deposit date: | 2018-11-12 | Release date: | 2019-05-29 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase. Nat Commun, 10, 2019
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6IDO
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![BU of 6ido by Molmil](/molmil-images/mine/6ido) | Crystal structure of Klebsiella pneumoniae sigma4 of sigmaS fusing with the RNA polymerase beta-flap-tip-helix in complex with -35 element DNA | Descriptor: | DNA (5'-D(P*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*AP*AP*TP*CP*G)-3'), DNA (5'-D(P*GP*AP*TP*TP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*C)-3'), RNA polymerase sigma factor RpoS,RNA polymerase beta-flap-tip-helix | Authors: | Lou, Y.C, Chien, C.Y, Chen, C, Hsu, C.H. | Deposit date: | 2018-09-10 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.748 Å) | Cite: | Structural basis for -35 element recognition by sigma4chimera proteins and their interactions with PmrA response regulator. Proteins, 88, 2020
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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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5WX9
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![BU of 5wx9 by Molmil](/molmil-images/mine/5wx9) | Crystal Structure of AtERF96 with GCC-box | Descriptor: | Ethylene-responsive transcription factor ERF096, GCC-box motif | Authors: | Chen, C.Y, Cheng, Y.S. | Deposit date: | 2017-01-06 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural insights into Arabidopsis ethylene response factor 96 with an extended N-terminal binding to GCC box. Plant Mol.Biol., 104, 2020
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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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5YXM
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![BU of 5yxm by Molmil](/molmil-images/mine/5yxm) | Crystal structure of Chlamydomonas Outer Arm Dynein Light Chain 1 | Descriptor: | Dynein light chain 1, axonemal, PHOSPHATE ION | Authors: | Toda, A, Tanaka, H, Nishikawa, Y, Yagi, T, Kurisu, G. | Deposit date: | 2017-12-06 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.545 Å) | Cite: | Structural atlas of dynein motors at atomic resolution. Biophys Rev, 10, 2018
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6I3C
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![BU of 6i3c by Molmil](/molmil-images/mine/6i3c) | |
5N2D
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![BU of 5n2d by Molmil](/molmil-images/mine/5n2d) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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5LSS
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![BU of 5lss by Molmil](/molmil-images/mine/5lss) | |
6I1A
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![BU of 6i1a by Molmil](/molmil-images/mine/6i1a) | Crystal structure of rutinosidase from Aspergillus niger | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase | Authors: | Pachl, P, Rezacova, P, Kapesova, J. | Deposit date: | 2018-10-28 | Release date: | 2020-01-29 | Last modified: | 2020-08-12 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity. Febs J., 287, 2020
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