6U9W
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6HFI
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6HFS
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6XYO
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![BU of 6xyo by Molmil](/molmil-images/mine/6xyo) | Multiple system atrophy Type I alpha-synuclein filament | Descriptor: | Alpha-synuclein | Authors: | Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. | Deposit date: | 2020-01-30 | Release date: | 2020-02-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structures of alpha-synuclein filaments from multiple system atrophy. Nature, 585, 2020
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6E0S
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![BU of 6e0s by Molmil](/molmil-images/mine/6e0s) | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library | Descriptor: | GLYCEROL, MEM-A1, PHOSPHATE ION, ... | Authors: | Stogios, P.J, Skarina, T, Lau, C, Topp, E, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-07-06 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library To Be Published
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6E18
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![BU of 6e18 by Molmil](/molmil-images/mine/6e18) | Crystal structure of Chlamydomonas reinhardtii HAP2 ectodomain provides structural insights of functional loops in green algae. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Baquero, E, Legrand, P, Rey, F.A. | Deposit date: | 2018-07-09 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Species-Specific Functional Regions of the Green Alga Gamete Fusion Protein HAP2 Revealed by Structural Studies. Structure, 27, 2019
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6UGE
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8CRI
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![BU of 8cri by Molmil](/molmil-images/mine/8cri) | Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ... | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | Deposit date: | 2023-03-08 | Release date: | 2023-06-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites. Angew.Chem.Int.Ed.Engl., 62, 2023
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5K0L
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![BU of 5k0l by Molmil](/molmil-images/mine/5k0l) | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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5K10
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![BU of 5k10 by Molmil](/molmil-images/mine/5k10) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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6XKZ
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![BU of 6xkz by Molmil](/molmil-images/mine/6xkz) | R. capsulatus CIII2CIV tripartite super-complex, conformation B (SC-1B) | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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5K11
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![BU of 5k11 by Molmil](/molmil-images/mine/5k11) | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | Deposit date: | 2016-05-17 | Release date: | 2016-06-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery. Cell, 165, 2016
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5G2B
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![BU of 5g2b by Molmil](/molmil-images/mine/5g2b) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | Descriptor: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-04-07 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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4XGX
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![BU of 4xgx by Molmil](/molmil-images/mine/4xgx) | Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, ... | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm. Microbiologyopen, 5, 2016
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4RG4
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8TDH
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6RGY
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![BU of 6rgy by Molmil](/molmil-images/mine/6rgy) | Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 7.5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | Deposit date: | 2019-04-18 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
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6E0O
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![BU of 6e0o by Molmil](/molmil-images/mine/6e0o) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | Descriptor: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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5K5K
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![BU of 5k5k by Molmil](/molmil-images/mine/5k5k) | Crystal structure of laccasse from Thermus thermophilus HB27 (ascorbic acid 10 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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8STC
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![BU of 8stc by Molmil](/molmil-images/mine/8stc) | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-09 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. To be published
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6ALG
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7LI2
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![BU of 7li2 by Molmil](/molmil-images/mine/7li2) | Omega ester peptide pre-fuscimiditide | Descriptor: | Pre-fuscimiditide peptide | Authors: | Link, A.J, Elashal, H.E. | Deposit date: | 2021-01-26 | Release date: | 2022-02-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Biosynthesis and characterization of fuscimiditide, an aspartimidylated graspetide. Nat.Chem., 14, 2022
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5K65
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![BU of 5k65 by Molmil](/molmil-images/mine/5k65) | Crystal structure of VEGF binding IgG1-Fc (Fcab CT6) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-24 | Release date: | 2017-09-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex. MAbs, 9, 2017
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8TAA
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7QTF
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![BU of 7qtf by Molmil](/molmil-images/mine/7qtf) | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | Descriptor: | ACETATE ION, MALONATE ION, PlaO1, ... | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | Deposit date: | 2022-01-14 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071 Thesis, 2011
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