2XP4
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![BU of 2xp4 by Molmil](/molmil-images/mine/2xp4) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 2-phenyl-1H-imidazole-4-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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8YM7
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![BU of 8ym7 by Molmil](/molmil-images/mine/8ym7) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | Descriptor: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | Deposit date: | 2024-03-08 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease To Be Published
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4EMP
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![BU of 4emp by Molmil](/molmil-images/mine/4emp) | Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G. | Deposit date: | 2012-04-12 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease J.Biol.Chem., 288, 2013
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4IWM
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![BU of 4iwm by Molmil](/molmil-images/mine/4iwm) | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in P21 form) | Descriptor: | UPF0135 protein MJ0927 | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | Deposit date: | 2013-01-24 | Release date: | 2014-01-29 | Last modified: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family. Biomed Res Int, 2014, 2014
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4IWG
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![BU of 4iwg by Molmil](/molmil-images/mine/4iwg) | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in C2221 form) | Descriptor: | UPF0135 protein MJ0927 | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | Deposit date: | 2013-01-23 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family. Biomed Res Int, 2014, 2014
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4HBL
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![BU of 4hbl by Molmil](/molmil-images/mine/4hbl) | Crystal structure of AbfR of Staphylococcus epidermidis | Descriptor: | Transcriptional regulator, MarR family | Authors: | Liu, X, Sun, X, Gan, J, Lan, L, Yang, C.-G. | Deposit date: | 2012-09-28 | Release date: | 2013-01-02 | Last modified: | 2013-02-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Oxidation-sensing Regulator AbfR Regulates Oxidative Stress Responses, Bacterial Aggregation, and Biofilm Formation in Staphylococcus epidermidis. J.Biol.Chem., 288, 2013
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4KPH
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![BU of 4kph by Molmil](/molmil-images/mine/4kph) | Structure of the Fab fragment of N62, a protective monoclonal antibody to the nonreducing end of Francisella tularensis O-antigen | Descriptor: | ACETATE ION, N62 heavy chain, N62 light chain | Authors: | Lu, Z, Rynkiewicz, M.J, Yang, C.-Y, Madico, G, Perkins, H.M, Wang, Q, Costello, C.E, Zaia, J, Seaton, B.A, Sharon, J. | Deposit date: | 2013-05-13 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The binding sites of monoclonal antibodies to the non-reducing end of Francisella tularensis O-antigen accommodate mainly the terminal saccharide. Immunology, 140, 2013
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3ST9
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![BU of 3st9 by Molmil](/molmil-images/mine/3st9) | Crystal structure of ClpP in heptameric form from Staphylococcus aureus | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION, GLYCEROL, ... | Authors: | Zhang, J, Ye, F, Lan, L, Jiang, H, Luo, C, Yang, C.-G. | Deposit date: | 2011-07-09 | Release date: | 2011-09-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics J.Biol.Chem., 286, 2011
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3OQT
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![BU of 3oqt by Molmil](/molmil-images/mine/3oqt) | Crystal structure of Rv1498A protein from mycobacterium tuberculosis | Descriptor: | CHLORIDE ION, Rv1498A PROTEIN, SODIUM ION | Authors: | Liu, F, Xiong, J, Kumar, S, Yang, C, Li, S, Ge, S, Xia, N, Swaminathan, K. | Deposit date: | 2010-09-04 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural and biophysical characterization of Mycobacterium tuberculosis dodecin Rv1498A. J.Struct.Biol., 175, 2011
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2WFK
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![BU of 2wfk by Molmil](/molmil-images/mine/2wfk) | Calcium bound LipL32 | Descriptor: | CALCIUM ION, LIPL32 | Authors: | Tung, J.-Y, Yang, C.-W, Sun, Y.-J. | Deposit date: | 2009-04-07 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Calcium Binds to Lipl32, a Lipoprotein from Pathogenic Leptospira, and Modulates Fibronectin Binding. J.Biol.Chem., 285, 2010
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3STA
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![BU of 3sta by Molmil](/molmil-images/mine/3sta) | Crystal structure of ClpP in tetradecameric form from Staphylococcus aureus | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Zhang, J, Ye, F, Lan, L, Jiang, H, Luo, C, Yang, C.-G. | Deposit date: | 2011-07-09 | Release date: | 2011-09-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics J.Biol.Chem., 286, 2011
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4EMM
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![BU of 4emm by Molmil](/molmil-images/mine/4emm) | |
3OLJ
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![BU of 3olj by Molmil](/molmil-images/mine/3olj) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) | Descriptor: | Ribonucleoside-diphosphate reductase subunit M2, SODIUM ION | Authors: | Chen, X.H, Xu, Z.J, Chen, B.E, Jiang, H.J, Yang, C.G, Zhu, W.L, Shao, J.M. | Deposit date: | 2010-08-26 | Release date: | 2011-08-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | hRRM2 To be Published
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4IXA
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![BU of 4ixa by Molmil](/molmil-images/mine/4ixa) | Structure of DNA-binding domain of the response regulator SaeR from Staphylococcus epidermidis | Descriptor: | Response regulator SaeR | Authors: | Chen, Y.R, Chen, S.C, Yang, C.S, Kuan, S.M, Liu, Y.H, Chen, Y. | Deposit date: | 2013-01-24 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of DNA-binding domain of the response regulator SaeR from Staphylococcus epidermidis To be Published
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3FYS
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![BU of 3fys by Molmil](/molmil-images/mine/3fys) | Crystal Structure of DegV, a fatty acid binding protein from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, PALMITIC ACID, ... | Authors: | Nan, J, Zhou, Y.F, Yang, C. | Deposit date: | 2009-01-23 | Release date: | 2009-05-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a fatty acid-binding protein from Bacillus subtilis determined by sulfur-SAD phasing using in-house chromium radiation Acta Crystallogr.,Sect.D, 65, 2009
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2W38
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![BU of 2w38 by Molmil](/molmil-images/mine/2w38) | Crystal structure of the pseudaminidase from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, SIALIDASE | Authors: | Xu, G, Ryan, C, Kiefel, M.J, Wilson, J.C, Taylor, G.L. | Deposit date: | 2008-11-07 | Release date: | 2008-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies on the Pseudomonas Aeruginosa Sialidase-Like Enzyme Pa2794 Suggest Substrate and Mechanistic Variations. J.Mol.Biol., 386, 2009
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3TCP
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![BU of 3tcp by Molmil](/molmil-images/mine/3tcp) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569 | Descriptor: | 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Liu, J, Yang, C, Simpson, C, DeRyckere, D, Van Deusen, A, Miley, M, Kireev, D.B, Norris-Drouin, J, Sather, S, Hunter, D, Patel, H.S, Janzen, W.P, Machius, M, Johnson, G, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2011-08-09 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia. ACS Med Chem Lett, 3, 2012
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3NUQ
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![BU of 3nuq by Molmil](/molmil-images/mine/3nuq) | Structure of a putative nucleotide phosphatase from Saccharomyces cerevisiae | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dong, A, Yang, C, Singer, A.U, Evdokimova, E, Kudritsdka, M, Brown, G, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-07-07 | Release date: | 2010-08-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a putative nucleotide phosphatase from Saccharomyces cerevisiae To be Published
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4AK8
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![BU of 4ak8 by Molmil](/molmil-images/mine/4ak8) | Structure of F241L mutant of langerin carbohydrate recognition domain. | Descriptor: | C-TYPE LECTIN DOMAIN FAMILY 4 MEMBER K, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chabrol, E, Thepaut, M, Dezutter-Dambuyant, C, Vives, C, Marcoux, J, Kahn, R, Valadeau-Guilemond, J, Vachette, P, Durand, D, Fieschi, F. | Deposit date: | 2012-02-22 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Alteration of the Langerin Oligomerization State Affects Birbeck Granule Formation. Biophys.J., 108, 2015
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3ZRS
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![BU of 3zrs by Molmil](/molmil-images/mine/3zrs) | X-ray crystal structure of a KirBac potassium channel highlights a mechanism of channel opening at the bundle-crossing gate. | Descriptor: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, POTASSIUM ION | Authors: | Bavro, V.N, De Zorzi, R, Schmidt, M.R, Muniz, J.R.C, Zubcevic, L, Sansom, M.S.P, Venien-Bryan, C, Tucker, S.J. | Deposit date: | 2011-06-17 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure of a Kirbac Potassium Channel with an Open Bundle Crossing Indicates a Mechanism of Channel Gating Nat.Struct.Mol.Biol., 19, 2012
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7CAM
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![BU of 7cam by Molmil](/molmil-images/mine/7cam) | SARS-CoV-2 main protease (Mpro) apo structure (space group P212121) | Descriptor: | 3C-like proteinase | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y. | Deposit date: | 2020-06-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug. Am J Cancer Res, 10, 2020
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7CB7
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![BU of 7cb7 by Molmil](/molmil-images/mine/7cb7) | 1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y, Hung, M.C. | Deposit date: | 2020-06-10 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug. Am J Cancer Res, 10, 2020
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4K7E
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![BU of 4k7e by Molmil](/molmil-images/mine/4k7e) | Crystal structure of Junin virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Zhang, Y.J, Li, L, Liu, X, Dong, S.S, Wang, W.M, Huo, T, Rao, Z.H, Yang, C. | Deposit date: | 2013-04-17 | Release date: | 2013-08-07 | Last modified: | 2013-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Junin virus nucleoprotein J.Gen.Virol., 94, 2013
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2AZP
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![BU of 2azp by Molmil](/molmil-images/mine/2azp) | Crystal Structure of PA1268 Solved by Sulfur SAD | Descriptor: | hypothetical protein PA1268 | Authors: | Liu, Y, Gorodichtchenskaia, E, Skarina, T, Yang, C, Joachimiak, A, Edwards, A, Pai, E.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-09-12 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of PA1268 Solved by Sulfur SAD To be Published
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2AR3
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![BU of 2ar3 by Molmil](/molmil-images/mine/2ar3) | E90A mutant structure of PlyL | Descriptor: | PHOSPHATE ION, ZINC ION, prophage lambdaba02, ... | Authors: | Low, L.Y, Yang, C, Perego, M, Osterman, A, Liddington, R.C. | Deposit date: | 2005-08-19 | Release date: | 2006-06-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and lytic activity of a Bacillus anthracis prophage endolysin. J.Biol.Chem., 280, 2005
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