4QT1
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7XHG
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5UN9
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![BU of 5un9 by Molmil](/molmil-images/mine/5un9) | The crystal structure of human O-GlcNAcase in complex with Thiamet-G | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase | Authors: | Li, B, Jiang, J. | Deposit date: | 2017-01-30 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode. Nat. Struct. Mol. Biol., 24, 2017
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4TYO
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![BU of 4tyo by Molmil](/molmil-images/mine/4tyo) | PPIase in complex with a non-phosphate small molecule inhibitor. | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2014-07-08 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket. Bioorg.Med.Chem.Lett., 24, 2014
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4U3F
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![BU of 4u3f by Molmil](/molmil-images/mine/4u3f) | Cytochrome bc1 complex from chicken with designed inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | Authors: | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | Deposit date: | 2014-07-21 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2312 Å) | Cite: | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization Sci Rep, 5, 2015
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5IMX
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6CQD
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![BU of 6cqd by Molmil](/molmil-images/mine/6cqd) | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. | Deposit date: | 2018-03-14 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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6XRJ
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5UN8
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4WC8
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8IS5
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8IS4
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![BU of 8is4 by Molmil](/molmil-images/mine/8is4) | Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ... | Authors: | Guo, W.T, Li, X.J, Wu, B.X. | Deposit date: | 2023-03-20 | Release date: | 2023-08-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy. Iscience, 26, 2023
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6CQF
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![BU of 6cqf by Molmil](/molmil-images/mine/6cqf) | Crystal structure of HPK1 in complex an inhibitor G1858 | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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7XHF
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6CQE
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![BU of 6cqe by Molmil](/molmil-images/mine/6cqe) | Crystal structure of HPK1 kinase domain S171A mutant | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
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1IQC
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![BU of 1iqc by Molmil](/molmil-images/mine/1iqc) | Crystal structure of Di-Heme Peroxidase from Nitrosomonas europaea | Descriptor: | CALCIUM ION, GLYCEROL, HEME C, ... | Authors: | Shimizu, H. | Deposit date: | 2001-07-20 | Release date: | 2002-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Nitrosomonas europaea cytochrome c peroxidase and the structural basis for ligand switching in bacterial di-heme peroxidases Biochemistry, 40, 2001
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3SOW
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6NNA
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![BU of 6nna by Molmil](/molmil-images/mine/6nna) | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | Descriptor: | 1,2-ETHANEDIOL, Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Toms, A.V, Martin, M.W. | Deposit date: | 2019-01-14 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN). Bioorg. Med. Chem. Lett., 29, 2019
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6U7J
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![BU of 6u7j by Molmil](/molmil-images/mine/6u7j) | Uncultured Clostridium sp. Beta-glucuronidase | Descriptor: | Beta-glucuronidase, CALCIUM ION | Authors: | Ervin, S.M, Redinbo, M.R. | Deposit date: | 2019-09-03 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens. J.Biol.Chem., 294, 2019
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3SOU
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6U7I
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![BU of 6u7i by Molmil](/molmil-images/mine/6u7i) | Faecalibacterium prausnitzii Beta-glucuronidase | Descriptor: | Beta-glucuronidase | Authors: | Ervin, S.M, Redinbo, M.R. | Deposit date: | 2019-09-03 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens. J.Biol.Chem., 294, 2019
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6U6G
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3SOX
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![BU of 3sox by Molmil](/molmil-images/mine/3sox) | Structure of UHRF1 PHD finger in the free form | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | Authors: | Rajakumara, E, Patel, D.J. | Deposit date: | 2011-06-30 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6501 Å) | Cite: | PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression. Mol.Cell, 43, 2011
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6VTU
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![BU of 6vtu by Molmil](/molmil-images/mine/6vtu) | DH717.1 Fab monomer in complex with man9 glycan | Descriptor: | DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ... | Authors: | Fera, D, Bronkema, N. | Deposit date: | 2020-02-13 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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