4V0H
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![BU of 4v0h by Molmil](/molmil-images/mine/4v0h) | Human metallo beta lactamase domain containing protein 1 (hMBLAC1) | Descriptor: | FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1 | Authors: | Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease. Elife, 7, 2018
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4UV0
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![BU of 4uv0 by Molmil](/molmil-images/mine/4uv0) | Structure of a semisynthetic phosphorylated DAPK | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | Authors: | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | Deposit date: | 2014-08-01 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works To be Published
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2W5U
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![BU of 2w5u by Molmil](/molmil-images/mine/2w5u) | Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium | Authors: | Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J. | Deposit date: | 2008-12-12 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection. Acs Chem.Biol., 4, 2009
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5LOF
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![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | Deposit date: | 2016-08-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
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5LEO
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![BU of 5leo by Molmil](/molmil-images/mine/5leo) | Complex structure of lysostaphin SH3b domain with peptidoglycan fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLY-GLY-GLY-GLY-GLY, Lysostaphin, ... | Authors: | Jagielska, E, Nowak, E, Bochtler, M, Sabala, I. | Deposit date: | 2016-06-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complex structure of lysostaphin SH3doamin with peptidoglycan fragment To Be Published
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5LT5
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![BU of 5lt5 by Molmil](/molmil-images/mine/5lt5) | Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942 | Descriptor: | CHLORIDE ION, CcmP, GLYCEROL | Authors: | Larsson, A.M, Hasse, D, Valegard, K, Andersson, I. | Deposit date: | 2016-09-06 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of beta-carboxysome shell protein CcmP: ligand binding correlates with the closed or open central pore. J. Exp. Bot., 68, 2017
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5LW6
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![BU of 5lw6 by Molmil](/molmil-images/mine/5lw6) | |
5LX9
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![BU of 5lx9 by Molmil](/molmil-images/mine/5lx9) | CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 2.4 ANGSTROM RESOLUTION | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, HUMAN ADIPONECTIN RECEPTOR 2, OLEIC ACID, ... | Authors: | Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S. | Deposit date: | 2016-09-20 | Release date: | 2017-03-22 | Last modified: | 2017-04-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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5LCY
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![BU of 5lcy by Molmil](/molmil-images/mine/5lcy) | Formaldehyde-Responsive Regulator FrmR E64H variant from Salmonella enterica serovar Typhimurium | Descriptor: | Frmr | Authors: | Pohl, E, Robinson, N, Osman, D, Piergentili, C, Uson, I. | Deposit date: | 2016-06-22 | Release date: | 2016-08-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Effectors and Sensory Sites of Formaldehyde-responsive Regulator FrmR and Metal-sensing Variant. J.Biol.Chem., 291, 2016
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5LJB
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![BU of 5ljb by Molmil](/molmil-images/mine/5ljb) | Crystal structure of holo human CRBP1 | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | zanotti, G, Valese, F, Berni, R, menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.263 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LJG
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![BU of 5ljg by Molmil](/molmil-images/mine/5ljg) | Crystal structure of holo human CRBP1 | Descriptor: | PALMITIC ACID, Retinol-binding protein 1 | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.146 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5M2X
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![BU of 5m2x by Molmil](/molmil-images/mine/5m2x) | Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | Deposit date: | 2016-10-13 | Release date: | 2018-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.991 Å) | Cite: | Supramolecular arrangement of the full-length Zika virus NS5. Plos Pathog., 15, 2019
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5M15
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![BU of 5m15 by Molmil](/molmil-images/mine/5m15) | Synthetic nanobody in complex with MBP | Descriptor: | Maltose-binding periplasmic protein, Synthetic nanobody L2_D09, (a-MBP#3) | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | Deposit date: | 2016-10-07 | Release date: | 2017-11-15 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins. Elife, 7, 2018
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5LJK
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![BU of 5ljk by Molmil](/molmil-images/mine/5ljk) | Crystal structure of human apo CRBP1 | Descriptor: | Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5LXQ
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![BU of 5lxq by Molmil](/molmil-images/mine/5lxq) | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | Deposit date: | 2016-09-22 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2. J. Biol. Chem., 292, 2017
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5LXG
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![BU of 5lxg by Molmil](/molmil-images/mine/5lxg) | Revised crystal structure of the human adiponectin receptor 1 in an open conformation | Descriptor: | Adiponectin receptor protein 1, SULFATE ION, V REGION HEAVY CHAIN, ... | Authors: | Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S. | Deposit date: | 2016-09-21 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural insights into adiponectin receptors suggest ceramidase activity. Nature, 6, 2017
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5M13
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![BU of 5m13 by Molmil](/molmil-images/mine/5m13) | Synthetic nanobody in complex with MBP | Descriptor: | 1,2-ETHANEDIOL, Maltose-binding periplasmic protein, synthetic Nanobody L2_C06 (a-MBP#2) | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | Deposit date: | 2016-10-07 | Release date: | 2017-11-15 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.372 Å) | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins. Elife, 7, 2018
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5LY7
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![BU of 5ly7 by Molmil](/molmil-images/mine/5ly7) | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-09-25 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5M14
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![BU of 5m14 by Molmil](/molmil-images/mine/5m14) | Synthetic nanobody in complex with MBP | Descriptor: | Maltose-binding periplasmic protein, synthetic Nanobody L2_G11 (a-MBP#2) | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | Deposit date: | 2016-10-07 | Release date: | 2017-11-15 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins. Elife, 7, 2018
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5LSR
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![BU of 5lsr by Molmil](/molmil-images/mine/5lsr) | Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942 | Descriptor: | CcmP, THIOCYANATE ION | Authors: | Larsson, A.M, Hasse, D, Valegard, K, Andersson, I. | Deposit date: | 2016-09-05 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of beta-carboxysome shell protein CcmP: ligand binding correlates with the closed or open central pore. J. Exp. Bot., 68, 2017
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5LJE
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![BU of 5lje by Molmil](/molmil-images/mine/5lje) | Crystal structure of holo human CRBP1/K40L,Q108L mutant | Descriptor: | RETINOL, Retinol-binding protein 1, SODIUM ION | Authors: | Zanotti, G, Vallese, F, Berni, R, Menozzi, I. | Deposit date: | 2016-07-18 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and molecular determinants affecting the interaction of retinol with human CRBP1. J. Struct. Biol., 197, 2017
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5E81
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![BU of 5e81 by Molmil](/molmil-images/mine/5e81) | Structure of T. thermophilus 70S ribosome complex with mRNA and tRNALys in the A-site with wobble pair | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Khusainov, I, Yusupov, M, Yusupova, G. | Deposit date: | 2015-10-13 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Novel base-pairing interactions at the tRNA wobble position crucial for accurate reading of the genetic code. Nat Commun, 7, 2016
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5EGM
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![BU of 5egm by Molmil](/molmil-images/mine/5egm) | Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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9ESM
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![BU of 9esm by Molmil](/molmil-images/mine/9esm) | |
5EM2
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![BU of 5em2 by Molmil](/molmil-images/mine/5em2) | Crystal structure of the Erb1-Ytm1 complex | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Ribosome biogenesis protein ERB1, ... | Authors: | Ahmed, Y.L, Sinning, I. | Deposit date: | 2015-11-05 | Release date: | 2015-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Concerted removal of the Erb1-Ytm1 complex in ribosome biogenesis relies on an elaborate interface. Nucleic Acids Res., 44, 2016
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