5XO7
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![BU of 5xo7 by Molmil](/molmil-images/mine/5xo7) | Crystal structure of a novel ZEN lactonase mutant with ligand a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-05-27 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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6SC9
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![BU of 6sc9 by Molmil](/molmil-images/mine/6sc9) | dAb3/HOIP-RBR-HOIPIN-8 | Descriptor: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ... | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | Deposit date: | 2019-07-23 | Release date: | 2019-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
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5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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6EVB
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![BU of 6evb by Molmil](/molmil-images/mine/6evb) | Structure of E282Q A. niger Fdc1 with prFMN in the iminium form | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | Authors: | Bailey, S.S, Leys, D, Payne, K.A.P. | Deposit date: | 2017-11-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
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7AH1
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![BU of 7ah1 by Molmil](/molmil-images/mine/7ah1) | L19 diabody fragment from immunocytokine L19-IL2 | Descriptor: | Anti-(ED-B) scFV | Authors: | Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F. | Deposit date: | 2020-09-23 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inference of molecular structure for characterization and improvement of clinical grade immunocytokines. J.Struct.Biol., 213, 2021
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4RE5
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![BU of 4re5 by Molmil](/molmil-images/mine/4re5) | Acylaminoacyl peptidase complexed with a chloromethylketone inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Acylamino-acid-releasing enzyme, ... | Authors: | Menyhard, D.K, Orgovan, Z, Szeltner, Z, Szamosi, I, Harmat, V. | Deposit date: | 2014-09-22 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalytically distinct states captured in a crystal lattice: the substrate-bound and scavenger states of acylaminoacyl peptidase and their implications for functionality. Acta Crystallogr.,Sect.D, 71, 2015
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7QZH
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![BU of 7qzh by Molmil](/molmil-images/mine/7qzh) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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7QZE
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![BU of 7qze by Molmil](/molmil-images/mine/7qze) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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5XE3
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![BU of 5xe3 by Molmil](/molmil-images/mine/5xe3) | Endoribonuclease in complex with its cognate antitoxin from Mycobacterial species | Descriptor: | Endoribonuclease MazF4, Probable antitoxin MazE4 | Authors: | Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J. | Deposit date: | 2017-03-31 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor. J. Biol. Chem., 292, 2017
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6IFG
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![BU of 6ifg by Molmil](/molmil-images/mine/6ifg) | Crystal structure of M1 zinc metallopeptidase E323A mutant bound to Tyr-ser-ala substrate from Deinococcus radiodurans | Descriptor: | FORMIC ACID, Tripeptides (TYR-SER-ALA), ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2018-09-20 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain. J.Struct.Biol., 208, 2019
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6UW7
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![BU of 6uw7 by Molmil](/molmil-images/mine/6uw7) | The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form | Descriptor: | 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C. | Deposit date: | 2019-11-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria. mSystems, 5, 2020
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5H1E
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![BU of 5h1e by Molmil](/molmil-images/mine/5h1e) | Interaction between vitamin D receptor and coactivator peptide SRC2-3 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor | Authors: | Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K. | Deposit date: | 2016-10-08 | Release date: | 2017-01-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity Bioorg. Med. Chem., 25, 2017
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7QZG
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![BU of 7qzg by Molmil](/molmil-images/mine/7qzg) | SFX structure of dye-type peroxidase DtpB N245A variant in the ferric state | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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5AG1
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5X6V
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![BU of 5x6v by Molmil](/molmil-images/mine/5x6v) | Crystal structure of human heteroheptameric complex | Descriptor: | ACETATE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... | Authors: | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | Deposit date: | 2017-02-23 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for the assembly of the Ragulator-Rag GTPase complex. Nat Commun, 8, 2017
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4YAE
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![BU of 4yae by Molmil](/molmil-images/mine/4yae) | Crystal structure of LigL-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | C alpha-dehydrogenase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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6SG9
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![BU of 6sg9 by Molmil](/molmil-images/mine/6sg9) | Head domain of the mt-SSU assemblosome from Trypanosoma brucei | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM 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: | 2024-05-22 | 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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4YAI
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![BU of 4yai by Molmil](/molmil-images/mine/4yai) | Crystal structure of LigL in complex with NADH and GGE from Sphingobium sp. strain SYK-6 | Descriptor: | (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase, ... | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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8JUN
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![BU of 8jun by Molmil](/molmil-images/mine/8jun) | Cryo-EM structure of SIDT1 E555Q mutant | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SID1 transmembrane family member 1, ZINC ION | Authors: | Sun, C.R, Xu, D, Li, Q, Zhou, C.Z, Chen, Y. | Deposit date: | 2023-06-26 | Release date: | 2023-11-15 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Human SIDT1 mediates dsRNA uptake via its phospholipase activity. Cell Res., 34, 2024
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8JUL
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![BU of 8jul by Molmil](/molmil-images/mine/8jul) | Cryo-EM structure of SIDT1 in complex with phosphatidic acid | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, SID1 transmembrane family member 1, ZINC ION | Authors: | Sun, C.R, Xu, D, Li, Q, Zhou, C.Z, Chen, Y. | Deposit date: | 2023-06-26 | Release date: | 2023-11-15 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Human SIDT1 mediates dsRNA uptake via its phospholipase activity. Cell Res., 34, 2024
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7JTJ
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![BU of 7jtj by Molmil](/molmil-images/mine/7jtj) | |
5XVC
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![BU of 5xvc by Molmil](/molmil-images/mine/5xvc) | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition | Descriptor: | DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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5TSS
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![BU of 5tss by Molmil](/molmil-images/mine/5tss) | TOXIC SHOCK SYNDROME TOXIN-1: ORTHORHOMBIC P222(1) CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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5XWZ
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![BU of 5xwz by Molmil](/molmil-images/mine/5xwz) | Crystal structure of a lactonase from Cladophialophora bantiana | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | Authors: | Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-06-30 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana Acta Crystallogr F Struct Biol Commun, 73, 2017
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8OFA
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![BU of 8ofa by Molmil](/molmil-images/mine/8ofa) | Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-03-14 | Release date: | 2023-11-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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