1S17
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![BU of 1s17 by Molmil](/molmil-images/mine/1s17) | Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | Descriptor: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | Authors: | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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1X7W
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![BU of 1x7w by Molmil](/molmil-images/mine/1x7w) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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4HZ2
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![BU of 4hz2 by Molmil](/molmil-images/mine/4hz2) | Crystal structure of glutathione s-transferase xaut_3756 (target efi-507152) from xanthobacter autotrophicus py2 | Descriptor: | BENZOIC ACID, GLUTATHIONE, Glutathione S-transferase domain, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-11-14 | Release date: | 2012-11-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of glutathione s-transferase xaut_3756 from xanthobacter autotrophicus py2 To be Published
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6F5U
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![BU of 6f5u by Molmil](/molmil-images/mine/6f5u) | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BEPRIDIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bepridil, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-03 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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4HVM
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![BU of 4hvm by Molmil](/molmil-images/mine/4hvm) | Crystal structure of tallysomycin biosynthesis protein TlmII | Descriptor: | SULFATE ION, TlmII | Authors: | Chang, C, Bigelow, L, Bearden, J, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2012-11-06 | Release date: | 2012-11-21 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Crystal structure of tallysomycin biosynthesis protein TlmII To be Published
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6ESX
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![BU of 6esx by Molmil](/molmil-images/mine/6esx) | Caulobacter crescentus Trx1 | Descriptor: | Thioredoxin 1 | Authors: | Van Molle, I, Wahni, K, Goemans, C.V, Beaufay, F, Collet, J.F, Messens, J. | Deposit date: | 2017-10-24 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | An essential thioredoxin is involved in the control of the cell cycle in the bacterium J. Biol. Chem., 293, 2018
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4KXF
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6F7B
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![BU of 6f7b by Molmil](/molmil-images/mine/6f7b) | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | Descriptor: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | Authors: | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | Deposit date: | 2017-12-08 | Release date: | 2018-12-19 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25, 2019
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4L2Y
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![BU of 4l2y by Molmil](/molmil-images/mine/4l2y) | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | Descriptor: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | Deposit date: | 2013-06-05 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design. ACS Med Chem Lett, 5, 2014
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6F84
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![BU of 6f84 by Molmil](/molmil-images/mine/6f84) | AKR1B1 at 2.55 MGy radiation dose. | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Castellvi, A, Juanhuix, J. | Deposit date: | 2017-12-12 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation. Sci Rep, 9, 2019
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6EZP
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![BU of 6ezp by Molmil](/molmil-images/mine/6ezp) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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1AVP
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2N2X
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1B3A
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![BU of 1b3a by Molmil](/molmil-images/mine/1b3a) | TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES | Descriptor: | PENTYLOXYAMINO-ACETALDEHYDE, PROTEIN (RANTES), SULFATE ION | Authors: | Wilken, J, Hoover, D, Thompson, D.A, Barlow, P.N, Mcsparron, H, Picard, L, Wlodawer, A, Lubkowski, J, Kent, S.B.H. | Deposit date: | 1998-12-07 | Release date: | 1999-04-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES. Chem.Biol., 6, 1999
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1X7X
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![BU of 1x7x by Molmil](/molmil-images/mine/1x7x) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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1SZ7
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![BU of 1sz7 by Molmil](/molmil-images/mine/1sz7) | Crystal structure of Human Bet3 | Descriptor: | PALMITIC ACID, Trafficking protein particle complex subunit 3 | Authors: | Turnbull, A.P, Prinz, B, Holz, C, Behlke, J, Schultchen, J, Delbrueck, H, Niesen, F.H, Lang, C, Heinemann, U. | Deposit date: | 2004-04-05 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of palmitoylated BET3: insights into TRAPP complex assembly and membrane localization Embo J., 24, 2005
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1ASU
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![BU of 1asu by Molmil](/molmil-images/mine/1asu) | AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 2% PEG 400, 2M AMMONIUM SULFATE, HEPES PH 7.5 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | Deposit date: | 1995-08-25 | Release date: | 1995-11-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-resolution structure of the catalytic domain of avian sarcoma virus integrase. J.Mol.Biol., 253, 1995
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1B6C
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![BU of 1b6c by Molmil](/molmil-images/mine/1b6c) | CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 | Descriptor: | FK506-BINDING PROTEIN, SULFATE ION, TGF-B SUPERFAMILY RECEPTOR TYPE I | Authors: | Huse, M, Chen, Y.-G, Massague, J, Kuriyan, J. | Deposit date: | 1999-01-13 | Release date: | 1999-06-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the cytoplasmic domain of the type I TGF beta receptor in complex with FKBP12. Cell(Cambridge,Mass.), 96, 1999
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1APM
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![BU of 1apm by Molmil](/molmil-images/mine/1apm) | 2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT | Descriptor: | N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE | Authors: | Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M. | Deposit date: | 1993-01-18 | Release date: | 1993-04-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent. Acta Crystallogr.,Sect.D, 49, 1993
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2N2W
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2MPA
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![BU of 2mpa by Molmil](/molmil-images/mine/2mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, CONJUGATE OF PORA P1.16 PEPTIDE WITH FLUORESCEIN, MN12H2 IGG2A-KAPPA, ... | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1999-06-09 | Release date: | 1999-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
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4HX1
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![BU of 4hx1 by Molmil](/molmil-images/mine/4hx1) | Structure of HLA-A68 complexed with a tumor antigen derived peptide | Descriptor: | 9-mer peptide from Tyrosinase-related protein-2, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F. | Deposit date: | 2012-11-09 | Release date: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes Mol.Immunol., 55, 2013
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4I6K
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![BU of 4i6k by Molmil](/molmil-images/mine/4i6k) | Crystal structure of probable 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE ABAYE1769 (TARGET EFI-505029) from Acinetobacter baumannii with citric acid bound | Descriptor: | Amidohydrolase family protein, CITRIC ACID | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-11-29 | Release date: | 2012-12-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.276 Å) | Cite: | CRYSTAL STRUCTURE OF PROBABLE 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE (TARGET EFI-505029) FROM Acinetobacter baumannii To be Published
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2YGT
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![BU of 2ygt by Molmil](/molmil-images/mine/2ygt) | Clostridium perfringens delta-toxin | Descriptor: | DELTA TOXIN, GLYCEROL, IMIDAZOLE, ... | Authors: | Huyet, J, Naylor, C.E, Gibert, M, Popoff, M.R, Basak, A.K. | Deposit date: | 2011-04-20 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights Into Clostridium Perfringens Delta Toxin Pore Formation. Plos One, 8, 2013
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1BN8
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![BU of 1bn8 by Molmil](/molmil-images/mine/1bn8) | BACILLUS SUBTILIS PECTATE LYASE | Descriptor: | CALCIUM ION, PROTEIN (PECTATE LYASE) | Authors: | Pickersgill, R, Harris, G, Jenkins, J. | Deposit date: | 1998-07-31 | Release date: | 1998-08-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of Bacillus subtilis pectate lyase in complex with calcium. Nat.Struct.Biol., 1, 1994
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