7KG7
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![BU of 7kg7 by Molmil](/molmil-images/mine/7kg7) | Structure of human PARG complexed with PARG-292 | Descriptor: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG0
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![BU of 7kg0 by Molmil](/molmil-images/mine/7kg0) | Structure of human PARG complexed with PARG-131 | Descriptor: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG6
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![BU of 7kg6 by Molmil](/molmil-images/mine/7kg6) | Structure of human PARG complexed with PARG-322 | Descriptor: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG8
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![BU of 7kg8 by Molmil](/molmil-images/mine/7kg8) | Structure of human PARG complexed with PARG-061 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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4L37
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![BU of 4l37 by Molmil](/molmil-images/mine/4l37) | SP2-SP3 - a complex of two storage proteins from Bombyx mori hemolymph | Descriptor: | Arylphorin, SODIUM ION, SULFATE ION, ... | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | Deposit date: | 2013-06-05 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic identification of an unexpected protein complex in silkworm haemolymph. Acta Crystallogr.,Sect.D, 69, 2013
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7USQ
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![BU of 7usq by Molmil](/molmil-images/mine/7usq) | |
7USO
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![BU of 7uso by Molmil](/molmil-images/mine/7uso) | |
7USP
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![BU of 7usp by Molmil](/molmil-images/mine/7usp) | |
7RNE
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![BU of 7rne by Molmil](/molmil-images/mine/7rne) | Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO | Descriptor: | Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RN7
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![BU of 7rn7 by Molmil](/molmil-images/mine/7rn7) | Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO | Descriptor: | Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNB
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![BU of 7rnb by Molmil](/molmil-images/mine/7rnb) | Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO | Descriptor: | Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RN9
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![BU of 7rn9 by Molmil](/molmil-images/mine/7rn9) | Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO | Descriptor: | Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNF
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![BU of 7rnf by Molmil](/molmil-images/mine/7rnf) | Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO | Descriptor: | Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RND
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![BU of 7rnd by Molmil](/molmil-images/mine/7rnd) | Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO | Descriptor: | Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RN8
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![BU of 7rn8 by Molmil](/molmil-images/mine/7rn8) | Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO | Descriptor: | Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7SEO
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![BU of 7seo by Molmil](/molmil-images/mine/7seo) | Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO | Descriptor: | ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Fuller, J.L, Finzel, B.C. | Deposit date: | 2021-09-30 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7RNA
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7RNG
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2YGM
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![BU of 2ygm by Molmil](/molmil-images/mine/2ygm) | THE X-RAY CRYSTAL STRUCTURE OF TANDEM CBM51 MODULES OF SP3GH98, THE FAMILY 98 GLYCOSIDE HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71, IN COMPLEX WITH THE BLOOD GROUP B ANTIGEN | Descriptor: | BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION, SODIUM ION, ... | Authors: | Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B. | Deposit date: | 2011-04-19 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes. J.Mol.Biol., 411, 2011
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2YGL
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![BU of 2ygl by Molmil](/molmil-images/mine/2ygl) | The X-ray crystal structure of tandem CBM51 modules of Sp3GH98, the family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 | Descriptor: | BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION | Authors: | Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B. | Deposit date: | 2011-04-18 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes. J.Mol.Biol., 411, 2011
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8JC4
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![BU of 8jc4 by Molmil](/molmil-images/mine/8jc4) | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine | Descriptor: | 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2023-05-10 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
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8JC3
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![BU of 8jc3 by Molmil](/molmil-images/mine/8jc3) | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine | Descriptor: | 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2023-05-10 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
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6GEM
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![BU of 6gem by Molmil](/molmil-images/mine/6gem) | FeII-Dependent Halogenase Wi-WelO15 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Oxidoreductase | Authors: | Srinivasan, V. | Deposit date: | 2018-04-26 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.462 Å) | Cite: | Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)-H Chlorination ChemRxiv, 2019
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7NIM
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![BU of 7nim by Molmil](/molmil-images/mine/7nim) | X-ray crystal structure of LsAA9A - cinnamon extract soak | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ... | Authors: | Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-02-12 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Inhibition of lytic polysaccharide monooxygenase by natural plant extracts. New Phytol., 232, 2021
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3WI8
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![BU of 3wi8 by Molmil](/molmil-images/mine/3wi8) | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene | Descriptor: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | Authors: | Mizohata, E, Oohora, K, Kihira, Y, Inoue, T, Hayashi, T. | Deposit date: | 2013-09-09 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | C(sp3)-H bond hydroxylation catalyzed by myoglobin reconstituted with manganese porphycene. J.Am.Chem.Soc., 135, 2013
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