7O30
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6DVV
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![BU of 6dvv by Molmil](/molmil-images/mine/6dvv) | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+. | Descriptor: | 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-25 | Release date: | 2018-07-18 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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7O2Z
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![BU of 7o2z by Molmil](/molmil-images/mine/7o2z) | Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide | Descriptor: | CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ... | Authors: | Schilz, J, Schiefner, A, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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7O2A
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![BU of 7o2a by Molmil](/molmil-images/mine/7o2a) | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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6DO8
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8UJY
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![BU of 8ujy by Molmil](/molmil-images/mine/8ujy) | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | Descriptor: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | Authors: | Zhao, B, Amporndanai, K, Fesik, S.W. | Deposit date: | 2023-10-11 | Release date: | 2023-12-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors. J.Med.Chem., 66, 2023
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7NZ0
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6DOE
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7NZ3
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![BU of 7nz3 by Molmil](/molmil-images/mine/7nz3) | Cryo-EM structure of apposed MukBEF-MatP monomers on DNA | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | Authors: | Buermann, F, Lowe, J. | Deposit date: | 2021-03-23 | Release date: | 2021-07-07 | Last modified: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites. Mol.Cell, 81, 2021
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6DOS
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7O2B
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![BU of 7o2b by Molmil](/molmil-images/mine/7o2b) | X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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8V4H
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![BU of 8v4h by Molmil](/molmil-images/mine/8v4h) | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | Authors: | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | Deposit date: | 2023-11-29 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 63, 2024
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8GKA
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![BU of 8gka by Molmil](/molmil-images/mine/8gka) | Human TRPV3 tetramer structure, closed conformation | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | Authors: | Lansky, S, Betancourt, J.M, Scheuring, S. | Deposit date: | 2023-03-17 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | A pentameric TRPV3 channel with a dilated pore. Nature, 621, 2023
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6FP1
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![BU of 6fp1 by Molmil](/molmil-images/mine/6fp1) | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1 | Descriptor: | 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Levy, C.W, Leys, D. | Deposit date: | 2018-02-08 | Release date: | 2019-08-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019
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6FNS
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6FPH
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![BU of 6fph by Molmil](/molmil-images/mine/6fph) | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h | Descriptor: | 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Levy, C.W, Leys, D. | Deposit date: | 2018-02-09 | Release date: | 2019-08-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites. Commun Biol, 2, 2019
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8GRT
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![BU of 8grt by Molmil](/molmil-images/mine/8grt) | Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7 | Descriptor: | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE | Authors: | Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y. | Deposit date: | 2022-09-02 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia To Be Published
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8GKG
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4NB9
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![BU of 4nb9 by Molmil](/molmil-images/mine/4nb9) | Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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6FQX
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![BU of 6fqx by Molmil](/molmil-images/mine/6fqx) | Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 6-phosphogluconate dehydrogenase, decarboxylating, ... | Authors: | Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K. | Deposit date: | 2018-02-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target. J. Mol. Biol., 430, 2018
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4N9G
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4NBM
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![BU of 4nbm by Molmil](/molmil-images/mine/4nbm) | Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K | Descriptor: | MAGNESIUM ION, Ultraviolet-B receptor UVR8 | Authors: | Yang, X, Zeng, X, Zhao, K.-H, Ren, Z. | Deposit date: | 2013-10-23 | Release date: | 2016-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8. Nat Plants, 1, 2015
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8UHI
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![BU of 8uhi by Molmil](/molmil-images/mine/8uhi) | Structure of the far-red light-absorbing allophycocyanin core expressed during FaRLiP | Descriptor: | MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, Ribulose bisphosphate carboxylase large subunit, ... | Authors: | Gisriel, C.J, Bryant, D.A, Brudvig, G.W, Shen, G. | Deposit date: | 2023-10-09 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335. J.Biol.Chem., 300, 2023
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7OCK
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![BU of 7ock by Molmil](/molmil-images/mine/7ock) | MAT in complex with SAMH | Descriptor: | S-adenosylmethionine synthase, SAM hydrolase | Authors: | Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S. | Deposit date: | 2021-04-27 | Release date: | 2021-07-21 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers. Mbio, 12, 2021
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7O99
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![BU of 7o99 by Molmil](/molmil-images/mine/7o99) | diMn-sulerythrin | Descriptor: | CHLORIDE ION, COBALT (II) ION, Sulerythrin | Authors: | Jeoung, J.-H, Dobbek, H. | Deposit date: | 2021-04-15 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation. Inorg.Chem., 60, 2021
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