4B5M
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![BU of 4b5m by Molmil](/molmil-images/mine/4b5m) | Neisseria AP endonuclease bound to the substrate with a cytosine orphan base | Descriptor: | 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*CP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ... | Authors: | Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S. | Deposit date: | 2012-08-06 | Release date: | 2012-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis. Proc. Natl. Acad. Sci. U.S.A., 109, 2012
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4JNM
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![BU of 4jnm by Molmil](/molmil-images/mine/4jnm) | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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2R5L
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![BU of 2r5l by Molmil](/molmil-images/mine/2r5l) | Crystal structure of lactoperoxidase at 2.4A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2007-09-04 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Lactoperoxidase at 2.4 A Resolution. J.Mol.Biol., 376, 2007
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2JGW
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![BU of 2jgw by Molmil](/molmil-images/mine/2jgw) | Structure of CCP module 7 of complement factor H - The AMD at risk varient (402H) | Descriptor: | COMPLEMENT FACTOR H | Authors: | Herbert, A.P, Deakin, J.A, Schmidt, C.Q, Blaum, B.S, Egan, C, Ferreira, V.P, Pangburn, M.K, Lyon, M, Uhrin, D, Barlow, P.N. | Deposit date: | 2007-02-16 | Release date: | 2007-03-20 | Last modified: | 2018-05-02 | Method: | SOLUTION NMR | Cite: | Structure shows that a glycosaminoglycan and protein recognition site in factor H is perturbed by age-related macular degeneration-linked single nucleotide polymorphism. J. Biol. Chem., 282, 2007
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4BJH
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![BU of 4bjh by Molmil](/molmil-images/mine/4bjh) | Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ... | Authors: | Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R. | Deposit date: | 2013-04-18 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus. Bmc Biochem., 14, 2013
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2R59
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![BU of 2r59 by Molmil](/molmil-images/mine/2r59) | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | Descriptor: | ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | Authors: | Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C. | Deposit date: | 2007-09-03 | Release date: | 2008-08-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design. Chem.Biol., 15, 2008
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214D
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![BU of 214d by Molmil](/molmil-images/mine/214d) | THE SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A SINGLE 2'-O-METHYL-BETA-D-ARAT | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*AP*(T41)P*AP*TP*GP*CP*G)-3') | Authors: | Gotfredsen, C.H, Spielmann, H.P, Wengel, J, Jacobsen, J.P. | Deposit date: | 1995-07-07 | Release date: | 1995-10-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a DNA duplex containing a single 2'-O-methyl-beta-D-araT: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Bioconjug.Chem., 7, 1996
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4XBU
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![BU of 4xbu by Molmil](/molmil-images/mine/4xbu) | In vitro Crystal Structure of PAK4 in complex with Inka peptide | Descriptor: | Protein FAM212A, Serine/threonine-protein kinase PAK 4 | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | Deposit date: | 2014-12-17 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1 Nat Commun, 6, 2015
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5ORP
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![BU of 5orp by Molmil](/molmil-images/mine/5orp) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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7YIY
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![BU of 7yiy by Molmil](/molmil-images/mine/7yiy) | Cryo-EM structure of SPT-ORMDL3 complex | Descriptor: | N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Xie, T, Liu, P, Gong, X. | Deposit date: | 2022-07-18 | Release date: | 2023-07-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis. Nat Commun, 14, 2023
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8OQW
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![BU of 8oqw by Molmil](/molmil-images/mine/8oqw) | Crystal structure of Tannerella forsythia MurNAc kinase MurK | Descriptor: | ATPase, GLYCEROL, SULFATE ION | Authors: | Gogler, K, Fink, P, Stasiak, A.C, Stehle, T, Zocher, G. | Deposit date: | 2023-04-12 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia. J.Biol.Chem., 299, 2023
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5EBB
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![BU of 5ebb by Molmil](/molmil-images/mine/5ebb) | Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with Zn2+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, GLYCEROL, ... | Authors: | Lim, S.M, Yeung, K, Tresaugues, L, Teo, H.L, Nordlund, P. | Deposit date: | 2015-10-19 | Release date: | 2016-01-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a - an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. Febs J., 283, 2016
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1MFP
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![BU of 1mfp by Molmil](/molmil-images/mine/1mfp) | E. coli Enoyl Reductase in complex with NAD and SB611113 | Descriptor: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F. | Deposit date: | 2002-08-13 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK J.MED.CHEM., 46, 2003
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5OS1
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![BU of 5os1 by Molmil](/molmil-images/mine/5os1) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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2R8X
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![BU of 2r8x by Molmil](/molmil-images/mine/2r8x) | Crystal structure of YrbI phosphatase from Escherichia coli | Descriptor: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION | Authors: | Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T. | Deposit date: | 2007-09-11 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
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5LE7
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![BU of 5le7 by Molmil](/molmil-images/mine/5le7) | Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_13_D12 | Descriptor: | DD_D12_13_D12, SULFATE ION | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | Deposit date: | 2016-06-29 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries. Sci Rep, 7, 2017
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8TK7
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![BU of 8tk7 by Molmil](/molmil-images/mine/8tk7) | |
8P5P
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![BU of 8p5p by Molmil](/molmil-images/mine/8p5p) | Structure of TECPR1 N-terminal DysF domain | Descriptor: | GLYCEROL, Tectonin beta-propeller repeat-containing protein 1 | Authors: | Boyle, K.B, Elliott, P.R, Randow, F. | Deposit date: | 2023-05-24 | Release date: | 2023-07-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TECPR1 conjugates LC3 to damaged endomembranes upon detection of sphingomyelin exposure. Embo J., 42, 2023
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6KCT
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![BU of 6kct by Molmil](/molmil-images/mine/6kct) | |
1ESJ
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![BU of 1esj by Molmil](/molmil-images/mine/1esj) | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | Descriptor: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-04-10 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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5LIX
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![BU of 5lix by Molmil](/molmil-images/mine/5lix) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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6KDF
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![BU of 6kdf by Molmil](/molmil-images/mine/6kdf) | Crystal structure of the alpha beta heterodimer of human IDH3 in APO form. | Descriptor: | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta | Authors: | Sun, P, Ding, J. | Deposit date: | 2019-07-02 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase. J.Biol.Chem., 294, 2019
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6K94
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8P7W
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![BU of 8p7w by Molmil](/molmil-images/mine/8p7w) | Structure of 5D3-Fab and nanobody(Nb8)-bound ABCG2 | Descriptor: | 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ATP-binding cassette sub-family G member 2, ... | Authors: | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | Deposit date: | 2023-05-31 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies. J.Mol.Biol., 435, 2023
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8TDM
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![BU of 8tdm by Molmil](/molmil-images/mine/8tdm) | Cryo-EM structure of AtMSL10-K539E | Descriptor: | Mechanosensitive ion channel protein 10 | Authors: | Zhang, J, Yuan, P. | Deposit date: | 2023-07-03 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10. Nat Commun, 14, 2023
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