3GMG
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![BU of 3gmg by Molmil](/molmil-images/mine/3gmg) | Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis | Descriptor: | Uncharacterized protein Rv1825/MT1873 | Authors: | Bonanno, J.B, Rutter, 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: | 2009-03-13 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis To be Published
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5RT2
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![BU of 5rt2 by Molmil](/molmil-images/mine/5rt2) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361 | Descriptor: | 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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3HAO
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![BU of 3hao by Molmil](/molmil-images/mine/3hao) | |
5RTG
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![BU of 5rtg by Molmil](/molmil-images/mine/5rtg) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673 | Descriptor: | 3-HYDROXYPHENYLACETATE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2P4S
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![BU of 2p4s by Molmil](/molmil-images/mine/2p4s) | Structure of Purine Nucleoside Phosphorylase from Anopheles gambiae in complex with DADMe-ImmH | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | Deposit date: | 2007-03-13 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anopheles gambiae purine nucleoside phosphorylase: catalysis, structure, and inhibition. Biochemistry, 46, 2007
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3GMS
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![BU of 3gms by Molmil](/molmil-images/mine/3gms) | |
3QVG
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![BU of 3qvg by Molmil](/molmil-images/mine/3qvg) | XRCC1 bound to DNA ligase | Descriptor: | DNA ligase 3, DNA repair protein XRCC1 | Authors: | Cuneo, M.J, Krahn, J.M, London, R.E. | Deposit date: | 2011-02-25 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes. Nucleic Acids Res., 39, 2011
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5RTW
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![BU of 5rtw by Molmil](/molmil-images/mine/5rtw) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777 | Descriptor: | (2-HYDROXYPHENYL)ACETIC ACID, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUC
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![BU of 5ruc by Molmil](/molmil-images/mine/5ruc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878 | Descriptor: | NICOTINAMIDE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4NRV
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![BU of 4nrv by Molmil](/molmil-images/mine/4nrv) | Crystal Structure of non-edited human NEIL1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endonuclease 8-like 1 | Authors: | Prakash, A, Doublie, S. | Deposit date: | 2013-11-27 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing. Dna Repair, 14, 2014
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5RUR
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![BU of 5rur by Molmil](/molmil-images/mine/5rur) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334 | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4NRY
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![BU of 4nry by Molmil](/molmil-images/mine/4nry) | |
5RV7
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![BU of 5rv7 by Molmil](/molmil-images/mine/5rv7) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002 | Descriptor: | 1H-indazol-3-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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3GO1
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![BU of 3go1 by Molmil](/molmil-images/mine/3go1) | |
3QN3
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![BU of 3qn3 by Molmil](/molmil-images/mine/3qn3) | Phosphopyruvate hydratase from Campylobacter jejuni. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, GLYCEROL, ... | Authors: | Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-02-07 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Phosphopyruvate hydratase from Campylobacter jejuni. To be Published
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3GM8
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![BU of 3gm8 by Molmil](/molmil-images/mine/3gm8) | Crystal structure of a beta-glycosidase from Bacteroides vulgatus | Descriptor: | GLYCEROL, Glycoside hydrolase family 2, candidate beta-glycosidase | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-03-13 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a beta-glycosidase from Bacteroides vulgatus To be Published
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5RVN
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![BU of 5rvn by Molmil](/molmil-images/mine/5rvn) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748 | Descriptor: | 4-METHOXYBENZOIC ACID, Non-structural protein 3 | Authors: | Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-10-02 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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2OZJ
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3QO0
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4KE1
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![BU of 4ke1 by Molmil](/molmil-images/mine/4ke1) | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 | Descriptor: | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione, Beta-Secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M, Li, V. | Deposit date: | 2013-04-25 | Release date: | 2013-07-03 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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4KEA
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![BU of 4kea by Molmil](/molmil-images/mine/4kea) | Crystal structure of D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in space group P212121 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | Deposit date: | 2013-04-25 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J.Biol.Chem., 288, 2013
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3GPX
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![BU of 3gpx by Molmil](/molmil-images/mine/3gpx) | Sequence-matched MutM Interrogation Complex 4 (IC4) | Descriptor: | DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*GP*AP*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ... | Authors: | Spong, M.C, Qi, Y, Verdine, G.L. | Deposit date: | 2009-03-23 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme. Nature, 462, 2009
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4NOB
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![BU of 4nob by Molmil](/molmil-images/mine/4nob) | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of the 1st Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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3GQ5
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![BU of 3gq5 by Molmil](/molmil-images/mine/3gq5) | Sequence-matched MutM Interrogation Complex 5 (IC5) | Descriptor: | DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*CP*CP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*T*CP*CP*GP*GP*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ... | Authors: | Qi, Y, Verdine, G.L. | Deposit date: | 2009-03-23 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme. Nature, 462, 2009
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3QPY
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![BU of 3qpy by Molmil](/molmil-images/mine/3qpy) | Crystal structure of a mutant (K57A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J. | Deposit date: | 2011-02-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase Biochemistry, 50, 2011
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