7STZ
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6ZHO
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![BU of 6zho by Molmil](/molmil-images/mine/6zho) | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Southall, S.M. | Deposit date: | 2020-06-23 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine. J.Med.Chem., 63, 2020
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4YD4
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6NI7
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4QXX
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6NLI
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![BU of 6nli by Molmil](/molmil-images/mine/6nli) | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 11) | Descriptor: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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4NEZ
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![BU of 4nez by Molmil](/molmil-images/mine/4nez) | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-30 | Release date: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Northeast Structural Genomics Consortium Target OR276 To be published
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7TGG
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![BU of 7tgg by Molmil](/molmil-images/mine/7tgg) | Cryo-EM structure of PilA-N and PilA-C from Geobacter sulfurreducens | Descriptor: | Geopilin domain 1 protein, Geopilin domain 2 protein | Authors: | Wang, F, Mustafa, K, Chan, C.H, Joshi, K, Bond, D.R, Hochbaum, A.I, Egelman, E.H. | Deposit date: | 2022-01-07 | Release date: | 2022-02-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of an extracellular Geobacter OmcE cytochrome filament reveals tetrahaem packing. Nat Microbiol, 7, 2022
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5KB6
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![BU of 5kb6 by Molmil](/molmil-images/mine/5kb6) | High-resolution structure of the adenosine kinase from Mus musculus in complex with adenosine | Descriptor: | ACETATE ION, ADENOSINE, Adenosine kinase, ... | Authors: | Oliveira, R.R, Neto, R.M, Polo, C.C, Tonoli, C.C.C, Murakami, M.T, Franchini, K.G. | Deposit date: | 2016-06-02 | Release date: | 2017-06-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution structure of the adenosine kinase from Mus musculus in complex with adenosine To Be Published
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6NPQ
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8OOO
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4YL1
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![BU of 4yl1 by Molmil](/molmil-images/mine/4yl1) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-06-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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6NRU
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![BU of 6nru by Molmil](/molmil-images/mine/6nru) | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ... | Authors: | Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-24 | Release date: | 2019-03-06 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri To Be Published
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4YMG
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![BU of 4ymg by Molmil](/molmil-images/mine/4ymg) | Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ... | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | Deposit date: | 2015-03-06 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina. J.Biol.Chem., 290, 2015
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8B21
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![BU of 8b21 by Molmil](/molmil-images/mine/8b21) | Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+ | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ... | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | Deposit date: | 2022-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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8OE2
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![BU of 8oe2 by Molmil](/molmil-images/mine/8oe2) | Structure of hyperstable haloalkane dehalogenase variant DhaA223 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Marek, M. | Deposit date: | 2023-03-10 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
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3ZKK
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![BU of 3zkk by Molmil](/molmil-images/mine/3zkk) | Structure of the xylo-oligosaccharide specific solute binding protein from Bifidobacterium animalis subsp. lactis Bl-04 in complex with xylotetraose | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, XOS BINDING PROTEIN, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Ejby, M, Vujicic-Zagar, A, Fredslund, F, Svensson, B, Slotboom, D.J, Abou Hachem, M. | Deposit date: | 2013-01-23 | Release date: | 2013-10-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04 Mol.Microbiol., 90, 2013
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6WN2
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5K5B
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![BU of 5k5b by Molmil](/molmil-images/mine/5k5b) | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | Deposit date: | 2016-05-23 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography. Sci Rep, 6, 2016
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6NHG
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![BU of 6nhg by Molmil](/molmil-images/mine/6nhg) | Rhodobacter sphaeroides Mitochondrial respiratory chain complex | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Xia, D, Zhou, F, Esser, L. | Deposit date: | 2018-12-21 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
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6NIA
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6WM6
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![BU of 6wm6 by Molmil](/molmil-images/mine/6wm6) | Periplasmic EDTA-binding protein EppA, tetragonal | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ... | Authors: | Lewis, K.M, Sattler, S.A, Greene, C.L, Xun, L, Kang, C. | Deposit date: | 2020-04-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1. Int J Mol Sci, 21, 2020
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6NLM
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![BU of 6nlm by Molmil](/molmil-images/mine/6nlm) | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | Descriptor: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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8OK2
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![BU of 8ok2 by Molmil](/molmil-images/mine/8ok2) | Bipartite interaction of TOPBP1 with the GINS complex | Descriptor: | DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ... | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | Deposit date: | 2023-03-26 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | TopBP1 utilises a bipartite GINS binding mode to support genome replication. Nat Commun, 15, 2024
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6NLN
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![BU of 6nln by Molmil](/molmil-images/mine/6nln) | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | Descriptor: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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