8FDV
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![BU of 8fdv by Molmil](/molmil-images/mine/8fdv) | LSD1-CoREST in complex N-formyl FAD and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7V7M
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![BU of 7v7m by Molmil](/molmil-images/mine/7v7m) | crystal structure of SARS-CoV-2 3CL protease | Descriptor: | 3C-like proteinase | Authors: | Yi, Y, Zhang, M, Ye, M. | Deposit date: | 2021-08-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19. Acta Pharm Sin B, 12, 2022
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7V54
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![BU of 7v54 by Molmil](/molmil-images/mine/7v54) | Structure of AdaV | Descriptor: | AdaV, FE (III) ION | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
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8FJ7
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![BU of 8fj7 by Molmil](/molmil-images/mine/8fj7) | LSD1-CoREST in complex with T108 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7VYU
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![BU of 7vyu by Molmil](/molmil-images/mine/7vyu) | |
8FQJ
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![BU of 8fqj by Molmil](/molmil-images/mine/8fqj) | LSD1-CoREST in complex with T14, short soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2023-01-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 To be published
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8FHA
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![BU of 8fha by Molmil](/molmil-images/mine/8fha) | |
8G2Q
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![BU of 8g2q by Molmil](/molmil-images/mine/8g2q) | |
8G2P
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![BU of 8g2p by Molmil](/molmil-images/mine/8g2p) | |
8FJ4
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![BU of 8fj4 by Molmil](/molmil-images/mine/8fj4) | LSD1-CoREST in complex with T108, short soaking | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8G1V
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![BU of 8g1v by Molmil](/molmil-images/mine/8g1v) | Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2 | Descriptor: | CHLORIDE ION, GLYCEROL, N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide, ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase and hepsin Protein Sci., 2024
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8FJ6
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![BU of 8fj6 by Molmil](/molmil-images/mine/8fj6) | LSD1-CoREST in complex with T108, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8GCJ
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![BU of 8gcj by Molmil](/molmil-images/mine/8gcj) | PCNA | Descriptor: | Proliferating cell nuclear antigen | Authors: | Vandborg, B.C, Bruning, J.B. | Deposit date: | 2023-03-01 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of apo pcna To Be Published
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5IVI
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![BU of 5ivi by Molmil](/molmil-images/mine/5ivi) | |
7VBO
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![BU of 7vbo by Molmil](/molmil-images/mine/7vbo) | Alginate binding domain CBM | Descriptor: | Alginate lyase, CALCIUM ION, SULFATE ION | Authors: | Ji, S.Q, She, Q. | Deposit date: | 2021-09-01 | Release date: | 2022-09-07 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification and structural analysis of a carbohydrate-binding module specific to alginate, a representative of a new family, CBM96. J.Biol.Chem., 299, 2023
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7VIV
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![BU of 7viv by Molmil](/molmil-images/mine/7viv) | |
5IUJ
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![BU of 5iuj by Molmil](/molmil-images/mine/5iuj) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM) | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | Deposit date: | 2016-03-18 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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7V56
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![BU of 7v56 by Molmil](/molmil-images/mine/7v56) | Structure of AdaV | Descriptor: | AdaV, FE (III) ION | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
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5IW8
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![BU of 5iw8 by Molmil](/molmil-images/mine/5iw8) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | Descriptor: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Brunner, K, Schnell, R, Schneider, G. | Deposit date: | 2016-03-22 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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8G8H
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![BU of 8g8h by Molmil](/molmil-images/mine/8g8h) | |
5IUL
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![BU of 5iul by Molmil](/molmil-images/mine/5iul) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | Deposit date: | 2016-03-18 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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7VB8
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![BU of 7vb8 by Molmil](/molmil-images/mine/7vb8) | |
8GV1
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![BU of 8gv1 by Molmil](/molmil-images/mine/8gv1) | Crystal structure of anti-FX IgG fab with FAST-Ig mutations | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ... | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.186 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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5IVK
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8GV2
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![BU of 8gv2 by Molmil](/molmil-images/mine/8gv2) | Crystal structure of anti-FX IgG fab without FAST-Ig mutations | Descriptor: | 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain | Authors: | Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. | Deposit date: | 2022-09-14 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
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