7S7H
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![BU of 7s7h by Molmil](/molmil-images/mine/7s7h) | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2 | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Methane monooxygenase beta chain, ... | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2021-09-16 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
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7Z98
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![BU of 7z98 by Molmil](/molmil-images/mine/7z98) | Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide | Descriptor: | (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kratky, J, Weisse, R, Strater, N. | Deposit date: | 2022-03-20 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7Z6E
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7ZCA
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![BU of 7zca by Molmil](/molmil-images/mine/7zca) | Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ... | Authors: | Kratky, J, Weisse, R, Strater, N. | Deposit date: | 2022-03-26 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7S6T
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![BU of 7s6t by Molmil](/molmil-images/mine/7s6t) | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2021-09-14 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
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7Z99
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7S6R
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![BU of 7s6r by Molmil](/molmil-images/mine/7s6r) | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2021-09-14 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
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7S6S
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![BU of 7s6s by Molmil](/molmil-images/mine/7s6s) | Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1 | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | Authors: | Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. | Deposit date: | 2021-09-14 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 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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7S94
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7ZG8
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![BU of 7zg8 by Molmil](/molmil-images/mine/7zg8) | |
7S56
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![BU of 7s56 by Molmil](/molmil-images/mine/7s56) | Sortase A from Streptococcus agalactiae, residues 79-247 | Descriptor: | Class A sortase | Authors: | Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
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7Z97
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![BU of 7z97 by Molmil](/molmil-images/mine/7z97) | Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kratky, J, Weisse, R, Strater, N. | Deposit date: | 2022-03-20 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
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7YYJ
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7S54
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![BU of 7s54 by Molmil](/molmil-images/mine/7s54) | Sortase A from Streptococcus agalactiae with the deltaN188 b7-b8 loop sequence from Staphylococcus aureus Sortase A | Descriptor: | Class A sortase, sortase A chimera | Authors: | Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
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7YXF
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![BU of 7yxf by Molmil](/molmil-images/mine/7yxf) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-02-16 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7YZ8
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7S57
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![BU of 7s57 by Molmil](/molmil-images/mine/7s57) | Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence of Enterococcus faecalis Sortase A | Descriptor: | Class A sortase, sortase A chimera | Authors: | Svendsen, J.E, Johnson, D.A, Gao, M, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
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7SLV
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![BU of 7slv by Molmil](/molmil-images/mine/7slv) | Vanin-1 complexed with Compound 3 | Descriptor: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | Authors: | Vajdos, F.F. | Deposit date: | 2021-10-25 | Release date: | 2022-01-12 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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7SLX
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![BU of 7slx by Molmil](/molmil-images/mine/7slx) | Vanin-1 complexed with Compound 11 | Descriptor: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... | Authors: | Vajdos, F.F. | Deposit date: | 2021-10-25 | Release date: | 2022-01-12 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
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7YYE
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7S53
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![BU of 7s53 by Molmil](/molmil-images/mine/7s53) | Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A | Descriptor: | Class A sortase, sortase A chimera | Authors: | Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-09-09 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
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7RXS
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![BU of 7rxs by Molmil](/molmil-images/mine/7rxs) | Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7Z0J
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![BU of 7z0j by Molmil](/molmil-images/mine/7z0j) | human PEX13 SH3 domain in complex with internal FxxxF motif | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13 | Authors: | Gaussmann, S, Zak, K, Kreisz, N, Sattler, M. | Deposit date: | 2022-02-23 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Intramolecular autoinhibition of human PEX13 modulates peroxisomal import Biorxiv, 2022
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7Z1G
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![BU of 7z1g by Molmil](/molmil-images/mine/7z1g) | Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... | Authors: | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | Deposit date: | 2022-02-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published
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