2MBM
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![BU of 2mbm by Molmil](/molmil-images/mine/2mbm) | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 | Descriptor: | Top7 Fold Protein Top7m13 | Authors: | Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-08-02 | Release date: | 2013-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33 To be Published
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8A5B
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![BU of 8a5b by Molmil](/molmil-images/mine/8a5b) | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6SZT
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![BU of 6szt by Molmil](/molmil-images/mine/6szt) | Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076) | Descriptor: | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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4MLA
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![BU of 4mla by Molmil](/molmil-images/mine/4mla) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | 1,2-ETHANEDIOL, Cytokinin oxidase 2, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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6T02
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![BU of 6t02 by Molmil](/molmil-images/mine/6t02) | Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169) | Descriptor: | (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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2MC1
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![BU of 2mc1 by Molmil](/molmil-images/mine/2mc1) | Solution structure of the Vav1 SH2 domain complexed with a Syk-derived singly phosphorylated peptide | Descriptor: | Proto-oncogene vav, Tyrosine-protein kinase SYK | Authors: | Chen, C, Piraner, D, Gorenstein, N.M, Geahlen, R.L, Post, C.B. | Deposit date: | 2013-08-13 | Release date: | 2013-08-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Differential recognition of syk-binding sites by each of the two phosphotyrosine-binding pockets of the Vav SH2 domain. Biopolymers, 99, 2013
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3IA5
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![BU of 3ia5 by Molmil](/molmil-images/mine/3ia5) | Moritella profunda dihydrofolate reductase (DHFR) | Descriptor: | Dihydrofolate reductase, PHOSPHATE ION | Authors: | Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S. | Deposit date: | 2009-07-13 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted? Chembiochem, 10, 2009
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3I9P
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6SC4
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![BU of 6sc4 by Molmil](/molmil-images/mine/6sc4) | Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | Authors: | Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M. | Deposit date: | 2019-07-23 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase. Front Microbiol, 11, 2020
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3IAF
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![BU of 3iaf by Molmil](/molmil-images/mine/3iaf) | Structure of benzaldehyde lyase A28S mutant with monomethyl benzoylphosphonate | Descriptor: | Benzaldehyde lyase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J. | Deposit date: | 2009-07-13 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition. J.Am.Chem.Soc., 132, 2010
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3F3Z
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![BU of 3f3z by Molmil](/molmil-images/mine/3f3z) | Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804 | Descriptor: | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, Calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL | Authors: | Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Cossar, D, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-10-31 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804 To be Published
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1DXQ
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![BU of 1dxq by Molmil](/molmil-images/mine/1dxq) | CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2000-01-14 | Release date: | 2000-04-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release Proc.Natl.Acad.Sci.USA, 97, 2000
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3IBS
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![BU of 3ibs by Molmil](/molmil-images/mine/3ibs) | Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hattne, J, Bearden, J, Borek, D, Nakka, C, Sather, A, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-16 | Release date: | 2009-08-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron To be Published
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3F89
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![BU of 3f89 by Molmil](/molmil-images/mine/3f89) | NEMO CoZi domain | Descriptor: | NF-kappa-B essential modulator | Authors: | Rahighi, S, Ikeda, F, Kawasaki, M, Akutsu, M, Suzuki, N, Kato, R, Kensche, T, Uejima, T, Bloor, S, Komander, D, Randow, F, Wakatsuki, S, Dikic, I. | Deposit date: | 2008-11-11 | Release date: | 2009-03-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Specific recognition of linear ubiquitin chains by NEMO is important for NF-kappaB activation Cell(Cambridge,Mass.), 136, 2009
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3WG2
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![BU of 3wg2 by Molmil](/molmil-images/mine/3wg2) | Crystal structure of Agrocybe cylindracea galectin mutant (N46A) | Descriptor: | Galactoside-binding lectin, TRIETHYLENE GLYCOL | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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8A2P
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![BU of 8a2p by Molmil](/molmil-images/mine/8a2p) | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | Descriptor: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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4ML8
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![BU of 4ml8 by Molmil](/molmil-images/mine/4ml8) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | Cytokinin oxidase 2, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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8A2O
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![BU of 8a2o by Molmil](/molmil-images/mine/8a2o) | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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3F6C
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![BU of 3f6c by Molmil](/molmil-images/mine/3f6c) | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF POSITIVE TRANSCRIPTION REGULATOR evgA FROM ESCHERICHIA COLI | Descriptor: | GLYCEROL, Positive transcription regulator evgA | Authors: | Patskovsky, Y, Romero, R, Freeman, J, Wu, B, Bain, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-11-05 | Release date: | 2008-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF POSITIVE TRANSCRIPTION REGULATOR evgA FROM ESCHERICHIA COLI To be Published
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6SGA
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![BU of 6sga by Molmil](/molmil-images/mine/6sga) | Body domain of the mt-SSU assemblosome from Trypanosoma brucei | Descriptor: | 9S rRNA, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2019-08-03 | Release date: | 2019-09-18 | Last modified: | 2019-09-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery. Science, 365, 2019
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1DZ4
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![BU of 1dz4 by Molmil](/molmil-images/mine/1dz4) | ferric p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-16 | Release date: | 2000-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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2LY9
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![BU of 2ly9 by Molmil](/molmil-images/mine/2ly9) | Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F | Descriptor: | Zinc fingers and homeoboxes protein 1 | Authors: | Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-09-14 | Release date: | 2012-11-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F To be Published
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2LZ1
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![BU of 2lz1 by Molmil](/molmil-images/mine/2lz1) | Solution NMR Structure of the DNA-Binding Domain of Human NF-E2-Related Factor 2, Northeast Structural Genomics Consortium (NESG) Target HR3520O | Descriptor: | Nuclear factor erythroid 2-related factor 2 | Authors: | Eletsky, A, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-09-22 | Release date: | 2012-11-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the DNA-Binding Domain of Human NF-E2-Related Factor 2, Northeast Structural Genomics Consortium (NESG) Target HR3520O To be Published
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8A8F
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![BU of 8a8f by Molmil](/molmil-images/mine/8a8f) | Crystal structure of Glc7 phosphatase in complex with the regulatory region of Ref2 | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, RNA end formation protein 2, ... | Authors: | Carminati, M, Manav, C.M, Bellini, D, Passmore, L.A. | Deposit date: | 2022-06-22 | Release date: | 2023-11-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A direct interaction between CPF and RNA Pol II links RNA 3' end processing to transcription. Mol.Cell, 83, 2023
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2M47
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![BU of 2m47 by Molmil](/molmil-images/mine/2m47) | Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160 | Descriptor: | Uncharacterized protein Cgl2373 | Authors: | Yang, Y, Ramelot, T.A, Lee, D, Ciccosanti, C, Sapin, A, Janjua, H, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-01-30 | Release date: | 2013-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160. To be Published
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