3RDA
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![BU of 3rda by Molmil](/molmil-images/mine/3rda) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-methyl-1,2-oxazol-5-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RDB
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![BU of 3rdb by Molmil](/molmil-images/mine/3rdb) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RMR
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![BU of 3rmr by Molmil](/molmil-images/mine/3rmr) | |
3RRN
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![BU of 3rrn by Molmil](/molmil-images/mine/3rrn) | S. cerevisiae dbp5 l327v bound to gle1 h337r and ip6 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DBP5, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Montpetit, B, Thomsen, N.D, Helmke, K.J, Seeliger, M.A, Berger, J.M, Weis, K. | Deposit date: | 2011-04-29 | Release date: | 2011-05-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.001 Å) | Cite: | A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export. Nature, 472, 2011
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3L6E
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![BU of 3l6e by Molmil](/molmil-images/mine/3l6e) | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas hydrophila subsp. hydrophila ATCC 7966 | Descriptor: | Oxidoreductase, short-chain dehydrogenase/reductase family, SULFATE ION | Authors: | Malashkevich, V.N, Patskovsky, Y, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-12-23 | Release date: | 2010-02-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas
hydrophila subsp. hydrophila ATCC 7966 To be Published
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3L7B
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![BU of 3l7b by Molmil](/molmil-images/mine/3l7b) | Crystal Structure of Glycogen Phosphorylase DK3 complex | Descriptor: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | Authors: | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | Deposit date: | 2009-12-28 | Release date: | 2010-10-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
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3R54
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![BU of 3r54 by Molmil](/molmil-images/mine/3r54) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, pyrrolidine-1-carbaldehyde | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3LQ7
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![BU of 3lq7 by Molmil](/molmil-images/mine/3lq7) | Crystal structure of glutathione s-transferase from agrobacterium tumefaciens str. c58 | Descriptor: | Glutathione S-transferase | Authors: | Patskovsky, Y, Toro, R, Gilmore, M, Chang, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-02-08 | Release date: | 2010-02-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Glutathione S-Transferase from Agrobacterium Tumefaciens To be Published
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3R7Q
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![BU of 3r7q by Molmil](/molmil-images/mine/3r7q) | Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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3RCK
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![BU of 3rck by Molmil](/molmil-images/mine/3rck) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, piperazine-1-carbaldehyde | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3KPD
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![BU of 3kpd by Molmil](/molmil-images/mine/3kpd) | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | Deposit date: | 2009-11-16 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair. J.Mol.Biol., 396, 2010
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3L4J
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![BU of 3l4j by Molmil](/molmil-images/mine/3l4j) | Topoisomerase II-DNA cleavage complex, apo | Descriptor: | 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ... | Authors: | Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M. | Deposit date: | 2009-12-20 | Release date: | 2010-05-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases. Nature, 465, 2010
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3KL2
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![BU of 3kl2 by Molmil](/molmil-images/mine/3kl2) | Crystal structure of a putative isochorismatase from Streptomyces avermitilis | Descriptor: | Putative isochorismatase, SULFATE ION | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-11-06 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative isochorismatase from Streptomyces avermitilis To be Published
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3KNR
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![BU of 3knr by Molmil](/molmil-images/mine/3knr) | Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | Deposit date: | 2009-11-12 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions. Nat.Chem.Biol., 8, 2012
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3I11
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![BU of 3i11 by Molmil](/molmil-images/mine/3i11) | |
3SS8
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![BU of 3ss8 by Molmil](/molmil-images/mine/3ss8) | Crystal structure of NFeoB from S. thermophilus bound to GDP.AlF4- and K+ | Descriptor: | Ferrous iron uptake transporter protein B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | Deposit date: | 2011-07-08 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | The initiation of GTP hydrolysis by the G-domain of FeoB: insights from a transition-state complex structure Plos One, 6, 2011
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3I0V
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![BU of 3i0v by Molmil](/molmil-images/mine/3i0v) | |
3I47
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![BU of 3i47 by Molmil](/molmil-images/mine/3i47) | CRYSTAL STRUCTURE OF putative enoyl CoA hydratase/isomerase (crotonase) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | Enoyl CoA hydratase/isomerase (Crotonase) | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-01 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | CRYSTAL STRUCTURE OF putative enoyl CoA hydratase/isomerase (crotonase) from Legionella pneumophila
subsp. pneumophila str. Philadelphia 1 To be Published
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3HVD
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![BU of 3hvd by Molmil](/molmil-images/mine/3hvd) | The Protective Antigen Component of Anthrax Toxin Forms Functional Octameric Complexes | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Kintzer, A.F, Dong, K.C, Berger, J.M, Krantz, B.A. | Deposit date: | 2009-06-15 | Release date: | 2009-08-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | The protective antigen component of anthrax toxin forms functional octameric complexes. J.Mol.Biol., 392, 2009
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3HY9
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![BU of 3hy9 by Molmil](/molmil-images/mine/3hy9) | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | Descriptor: | (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide, CALCIUM ION, Catalytic Domain of ADAMTS-5, ... | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | Deposit date: | 2009-06-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors J.Biol.Chem., 284, 2009
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3HOS
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![BU of 3hos by Molmil](/molmil-images/mine/3hos) | |
3I4K
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![BU of 3i4k by Molmil](/molmil-images/mine/3i4k) | Crystal structure of Muconate lactonizing enzyme from Corynebacterium glutamicum | Descriptor: | ACETIC ACID, MAGNESIUM ION, Muconate lactonizing enzyme | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-01 | Release date: | 2009-07-14 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Muconate lactonizing enzyme from Corynebacterium glutamicum To be Published
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3HU5
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![BU of 3hu5 by Molmil](/molmil-images/mine/3hu5) | CRYSTAL STRUCTURE OF isochorismatase family protein from Desulfovibrio vulgaris subsp. vulgaris str. Hildenborough | Descriptor: | Isochorismatase family protein | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-06-12 | Release date: | 2009-06-30 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | CRYSTAL STRUCTURE OF isochorismatase family protein from Desulfovibrio vulgaris subsp.
vulgaris str. Hildenborough To be Published
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3LCP
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![BU of 3lcp by Molmil](/molmil-images/mine/3lcp) | Crystal structure of the carbohydrate recognition domain of LMAN1 in complex with MCFD2 | Descriptor: | CALCIUM ION, Multiple coagulation factor deficiency protein 2, Protein ERGIC-53 | Authors: | Wigren, E, Bourhis, J.M, Kursula, I, Guy, J.E, Lindqvist, Y. | Deposit date: | 2010-01-11 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the LMAN1-CRD/MCFD2 transport receptor complex provides insight into combined deficiency of factor V and factor VIII. Febs Lett., 584, 2010
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3LK5
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![BU of 3lk5 by Molmil](/molmil-images/mine/3lk5) | Crystal structure of putative Geranylgeranyl pyrophosphate synthase from Corynebacterium glutamicum | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase | Authors: | Malashkevich, V.N, Toro, R, Patskovsky, Y, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-01-27 | Release date: | 2010-03-09 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of putative Geranylgeranyl pyrophosphate synthase from Corynebacterium glutamicum Atcc 13032 To be Published
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