2D3V
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![BU of 2d3v by Molmil](/molmil-images/mine/2d3v) | Crystal Structure of Leukocyte Ig-like Receptor A5 (LILRA5/LIR9/ILT11) | Descriptor: | leukocyte immunoglobulin-like receptor subfamily A member 5 isoform 1 | Authors: | Shiroishi, M, Kajikawa, M, Kuroki, K, Ose, T, Kohda, D, Maenaka, K. | Deposit date: | 2005-10-03 | Release date: | 2006-06-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the human monocyte-activating receptor, J.Biol.Chem., 281, 2006
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4PKY
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![BU of 4pky by Molmil](/molmil-images/mine/4pky) | ARNT/HIF transcription factor/coactivator complex | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, SULFATE ION, ... | Authors: | Tomchick, D.R, Partch, C.L, Gardner, K.H. | Deposit date: | 2014-05-15 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Coiled-coil Coactivators Play a Structural Role Mediating Interactions in Hypoxia-inducible Factor Heterodimerization. J.Biol.Chem., 290, 2015
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5L34
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4ZV8
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![BU of 4zv8 by Molmil](/molmil-images/mine/4zv8) | Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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5LIE
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5LI7
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![BU of 5li7 by Molmil](/molmil-images/mine/5li7) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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4ZSA
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![BU of 4zsa by Molmil](/molmil-images/mine/4zsa) | Crystal structure of FGFR1 kinase domain in complex with 7n | Descriptor: | 4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide, Fibroblast growth factor receptor 1 | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2015-05-13 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold. Org.Biomol.Chem., 13, 2015
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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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2Y73
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![BU of 2y73 by Molmil](/molmil-images/mine/2y73) | THE NATIVE STRUCTURES OF SOLUBLE HUMAN PRIMARY AMINE OXIDASE AOC3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3. Biochemistry, 50, 2011
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5LL7
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![BU of 5ll7 by Molmil](/molmil-images/mine/5ll7) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-07-26 | Release date: | 2018-02-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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2DIK
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![BU of 2dik by Molmil](/molmil-images/mine/2dik) | R337A MUTANT OF PYRUVATE PHOSPHATE DIKINASE | Descriptor: | PROTEIN (PYRUVATE PHOSPHATE DIKINASE), SULFATE ION | Authors: | Huang, K, Herzberg, O. | Deposit date: | 1998-09-03 | Release date: | 1999-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Location of the phosphate binding site within Clostridium symbiosum pyruvate phosphate dikinase. Biochemistry, 37, 1998
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2Y6N
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2BO9
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![BU of 2bo9 by Molmil](/molmil-images/mine/2bo9) | Human carboxypeptidase A4 in complex with human latexin. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ... | Authors: | Pallares, I, Bonet, R, Garcia-Castellanos, R, Ventura, S, Aviles, F.X, Vendrell, J, Gomis-Rueth, F.X. | Deposit date: | 2005-04-08 | Release date: | 2005-04-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Human Carboxypeptidase A4 with its Endogenous Protein Inhibitor, Latexin. Proc.Natl.Acad.Sci.USA, 102, 2005
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5LI8
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![BU of 5li8 by Molmil](/molmil-images/mine/5li8) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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4PPE
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![BU of 4ppe by Molmil](/molmil-images/mine/4ppe) | human RNF4 RING domain | Descriptor: | E3 ubiquitin-protein ligase RNF4, ZINC ION | Authors: | Perry, J.J, Arvai, A.S, Hitomi, C, Tainer, J.A. | Deposit date: | 2014-02-26 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RNF4 interacts with both SUMO and nucleosomes to promote the DNA damage response. Embo Rep., 15, 2014
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2C2A
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5AIZ
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![BU of 5aiz by Molmil](/molmil-images/mine/5aiz) | The PIAS-like coactivator Zmiz1 is a direct and selective cofactor of Notch1 in T-cell development and leukemia | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Cho, H.J, Murai, M, Chiang, M, Cierpicki, T. | Deposit date: | 2015-02-18 | Release date: | 2015-10-28 | Last modified: | 2015-12-02 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Pias-Like Coactivator Zmiz1 is a Direct and Selective Cofactor of Notch1 in T-Cell Development and Leukemia Immunity, 43, 2015
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2BR0
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![BU of 2br0 by Molmil](/molmil-images/mine/2br0) | DNA Adduct Bypass Polymerization by Sulfolobus solfataricus Dpo4. Analysis and Crystal Structures of Multiple Base-Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | Deposit date: | 2005-04-28 | Release date: | 2005-06-23 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | DNA Adduct Bypass Polymerization by Sulfolobus Solfataricus DNA Polymerase Dpo4: Analysis and Crystal Structures of Multiple Base Pair Substitution and Frameshift Products with the Adduct 1,N2-Ethenoguanine. J.Biol.Chem., 280, 2005
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5A4C
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![BU of 5a4c by Molmil](/molmil-images/mine/5a4c) | FGFR1 ligand complex | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase. Nat.Commun., 6, 2015
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5AJQ
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![BU of 5ajq by Molmil](/molmil-images/mine/5ajq) | Human LOK (STK10) in complex with Bosutinib | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Pinkas, D.M, Krojer, T, Kopec, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2015-04-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Stk10 with Bosutinib To be Published
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5A1F
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![BU of 5a1f by Molmil](/molmil-images/mine/5a1f) | Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | Authors: | Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2ZCS
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![BU of 2zcs by Molmil](/molmil-images/mine/2zcs) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-700 | Descriptor: | Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E. | Deposit date: | 2007-11-11 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence. Science, 319, 2008
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5MI0
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![BU of 5mi0 by Molmil](/molmil-images/mine/5mi0) | A thermally stabilised version of Plasmodium falciparum RH5 | Descriptor: | MONOCLONAL ANTIBODY 9AD4, Reticulocyte binding-like protein 5,Reticulocyte binding protein 5 | Authors: | Campeotto, I, Goldenzweig, A, Davey, J, Barfod, L, Marshall, J.M, Silk, S.E, Wright, K.E, Draper, S.J, Higgins, M.K, Fleishman, S.J. | Deposit date: | 2016-11-27 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | One-step design of a stable variant of the malaria invasion protein RH5 for use as a vaccine immunogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2ZTT
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5M63
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![BU of 5m63 by Molmil](/molmil-images/mine/5m63) | Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5 | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, H chain of Fab NVS-1-19-5, ... | Authors: | Carboni, F, Adamo, R, Veggi, D, Rappuoli, R, Malito, E, Margarit, I.R, Berti, F. | Deposit date: | 2016-10-24 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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