2PVV
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7ULU
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![BU of 7ulu by Molmil](/molmil-images/mine/7ulu) | Human DDAH1 soaked with its inhibitor ClPyrAA | Descriptor: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7ULX
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![BU of 7ulx by Molmil](/molmil-images/mine/7ulx) | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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7ULV
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![BU of 7ulv by Molmil](/molmil-images/mine/7ulv) | Human DDAH1 soaked with its inactivator S-((4-chloropyridin-2-yl)methyl)-L-cysteine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, S-[(pyridin-2-yl)methyl]-L-cysteine | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | Deposit date: | 2022-04-05 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1 To Be Published
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1KW7
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![BU of 1kw7 by Molmil](/molmil-images/mine/1kw7) | METHIONINE CORE MUTANT OF T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | Authors: | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | Deposit date: | 2002-01-28 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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1QA5
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3FF3
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1QA4
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3FEE
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![BU of 3fee by Molmil](/molmil-images/mine/3fee) | The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with quisqualic acid | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lubkowski, J, Barinka, C, Hlouchova, K. | Deposit date: | 2008-11-28 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III Febs J., 276, 2009
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3FED
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![BU of 3fed by Molmil](/molmil-images/mine/3fed) | The high resolution structure of human glutamate carboxypeptidase III (GCPIII/NAALADase II) in complex with a transition state analog of Glu-Glu | Descriptor: | (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lubkowski, J, Barinka, C, Hlouchova, K. | Deposit date: | 2008-11-28 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III Febs J., 276, 2009
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1WCO
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![BU of 1wco by Molmil](/molmil-images/mine/1wco) | The solution structure of the nisin-lipid II complex | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-FGA-LYS-DAL-DAL PEPTIDE, ... | Authors: | Hsu, S.-T.D, Breukink, E, Tischenko, E, Lutters, M.A.G, de Kruijff, B, Kaptein, R, Bonvin, A.M.J.J, van Nuland, N.A.J. | Deposit date: | 2004-11-19 | Release date: | 2005-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics. Nat. Struct. Mol. Biol., 11, 2004
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7KE0
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1WBP
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![BU of 1wbp by Molmil](/molmil-images/mine/1wbp) | SRPK1 bound to 9mer docking motif peptide | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MEMBRANE-ASSOCIATED GUANYLATE KINASE, ... | Authors: | Ngo, J.C, Gullinsgrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.-D, Adams, J.A, McCammon, J.A, Ghosh, G. | Deposit date: | 2004-11-04 | Release date: | 2005-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interplay between Srpk and Clk/Sty Kinases in Phosphorylation of the Splicing Factor Asf/Sf2 is Regulated by a Docking Motif in Asf/Sf2 Mol.Cell, 20, 2005
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3O10
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![BU of 3o10 by Molmil](/molmil-images/mine/3o10) | Crystal structure of the HEPN domain from human sacsin | Descriptor: | MALONATE ION, Sacsin | Authors: | Kozlov, G, Gehring, K. | Deposit date: | 2010-07-20 | Release date: | 2011-03-30 | Last modified: | 2014-07-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of defects in the sacsin HEPN domain responsible for autosomal recessive spastic ataxia of Charlevoix-Saguenay (ARSACS). J.Biol.Chem., 286, 2011
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5U90
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![BU of 5u90 by Molmil](/molmil-images/mine/5u90) | Crystal structure of Co-CAO1 in complex with resveratrol | Descriptor: | COBALT (II) ION, Carotenoid oxygenase 1, DIMETHYL SULFOXIDE, ... | Authors: | Sui, X, Palczewski, k, Banerjee, S, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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4DQO
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![BU of 4dqo by Molmil](/molmil-images/mine/4dqo) | Crystal Structure of PG16 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 | Descriptor: | 1FD6-V1V2 scaffold ZM109 HIV-1 strain, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 Fab Heavy Chain, ... | Authors: | Pancera, M, McLellan, J.S, Kwong, P.D. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16. Nat.Struct.Mol.Biol., 20, 2013
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5U8X
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![BU of 5u8x by Molmil](/molmil-images/mine/5u8x) | Crystal structure of Fe-CAO1 | Descriptor: | BENZOIC ACID, CHLORIDE ION, Carotenoid oxygenase 1, ... | Authors: | Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.165 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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5U97
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![BU of 5u97 by Molmil](/molmil-images/mine/5u97) | Crystal structure of Co-CAO1 in complex with piceatannol | Descriptor: | BENZOIC ACID, COBALT (II) ION, Carotenoid oxygenase 1, ... | Authors: | Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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5U8Z
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![BU of 5u8z by Molmil](/molmil-images/mine/5u8z) | Structure of Fe-CAO1 in complex with beta-fluororesveratrol | Descriptor: | 5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol, CHLORIDE ION, Carotenoid oxygenase 1, ... | Authors: | Sui, X, Palczewski, K, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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3GGU
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![BU of 3ggu by Molmil](/molmil-images/mine/3ggu) | HIV PR drug resistant patient's variant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Saskova, K.G, Brynda, J, Rezacova, P. | Deposit date: | 2009-03-02 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir. J.Virol., 83, 2009
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5U8Y
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![BU of 5u8y by Molmil](/molmil-images/mine/5u8y) | Crystal structure of Co-CAO1 | Descriptor: | COBALT (II) ION, Carotenoid oxygenase 1 | Authors: | Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D. | Deposit date: | 2016-12-15 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center. Biochemistry, 56, 2017
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1PP2
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7JHQ
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![BU of 7jhq by Molmil](/molmil-images/mine/7jhq) | OXA-48 bound by Compound 2.3 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-21 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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4C9X
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![BU of 4c9x by Molmil](/molmil-images/mine/4c9x) | Crystal structure of NUDT1 (MTH1) with S-crizotinib | Descriptor: | 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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2P39
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![BU of 2p39 by Molmil](/molmil-images/mine/2p39) | Crystal structure of human FGF23 | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 23 | Authors: | Mohammadi, M. | Deposit date: | 2007-03-08 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members. Mol.Cell.Biol., 27, 2007
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