6GVA
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![BU of 6gva by Molmil](/molmil-images/mine/6gva) | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... | Authors: | Skerlova, J, Rezacova, P. | Deposit date: | 2018-06-20 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J.Med.Chem., 62, 2019
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3HNT
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![BU of 3hnt by Molmil](/molmil-images/mine/3hnt) | CS-35 Fab complex with a linear, terminal oligoarabinofuranosyl tetrasaccharide from lipoarabinomannan | Descriptor: | CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-5)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside | Authors: | Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into antibody recognition of mycobacterial polysaccharides. J.Mol.Biol., 392, 2009
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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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7LRY
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![BU of 7lry by Molmil](/molmil-images/mine/7lry) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | Descriptor: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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3HX8
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![BU of 3hx8 by Molmil](/molmil-images/mine/3hx8) | |
6O3F
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![BU of 6o3f by Molmil](/molmil-images/mine/6o3f) | |
3NKN
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![BU of 3nkn by Molmil](/molmil-images/mine/3nkn) | Crystal structure of mouse autotaxin in complex with 14:0-LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | Deposit date: | 2010-06-20 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators Nat.Struct.Mol.Biol., 18, 2011
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6NIQ
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![BU of 6niq by Molmil](/molmil-images/mine/6niq) | Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Kim, Y, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-12-31 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris To Be Published
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5FHH
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![BU of 5fhh by Molmil](/molmil-images/mine/5fhh) | Structure of human Pif1 helicase domain residues 200-641 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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3N8T
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![BU of 3n8t by Molmil](/molmil-images/mine/3n8t) | Native structure of TK1436, a GH57 branching enzyme from hyperthermophilic archaeon Thermococcus kodakaraensis | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, alpha-amylase, ... | Authors: | Santos, C.R, Tonoli, C.C.C, Trindade, D.M, Betzel, C, Takata, H, Kuriki, T, Kanai, T, Imanaka, T, Arni, R.K, Murakami, M.T. | Deposit date: | 2010-05-28 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for branching-enzyme activity of glycoside hydrolase family 57: Structure and stability studies of a novel branching enzyme from the hyperthermophilic archaeon Thermococcus Kodakaraensis KOD1. Proteins, 79, 2011
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6FNR
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![BU of 6fnr by Molmil](/molmil-images/mine/6fnr) | Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine | Descriptor: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid, GLYCEROL, Histidine N-alpha-methyltransferase, ... | Authors: | Vit, A, Blankenfeldt, W, Seebeck, F.P. | Deposit date: | 2018-02-05 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD. ACS Chem. Biol., 13, 2018
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3ITK
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![BU of 3itk by Molmil](/molmil-images/mine/3itk) | Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form. | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase | Authors: | Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-28 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase. J.Biol.Chem., 286, 2011
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6FWB
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![BU of 6fwb by Molmil](/molmil-images/mine/6fwb) | Crystal structure of Mat2A at 1.79 Angstron resolution | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. Ebiomedicine, 39, 2019
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3NXQ
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![BU of 3nxq by Molmil](/molmil-images/mine/3nxq) | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2010-07-14 | Release date: | 2010-09-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407. J.Biol.Chem., 285, 2010
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1XSB
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![BU of 1xsb by Molmil](/molmil-images/mine/1xsb) | Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) in complex with ATP. No ATP restraints included | Descriptor: | Bis(5'-nucleosyl)-tetraphosphatase | Authors: | Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. | Deposit date: | 2004-10-18 | Release date: | 2004-12-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase J.Biol.Chem., 280, 2005
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3IVP
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![BU of 3ivp by Molmil](/molmil-images/mine/3ivp) | |
2BYD
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![BU of 2byd by Molmil](/molmil-images/mine/2byd) | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase | Descriptor: | BROMIDE ION, HSPC223 | Authors: | Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, Oppermann, U, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J. | Deposit date: | 2005-07-29 | Release date: | 2005-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism and substrate recognition of human holo ACP synthase. Chem. Biol., 14, 2007
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5AOC
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![BU of 5aoc by Molmil](/molmil-images/mine/5aoc) | The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-valerate bound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A. | Deposit date: | 2015-09-10 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain. Front.Microbiol., 6, 2015
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5AOA
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![BU of 5aoa by Molmil](/molmil-images/mine/5aoa) | The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-Propionate bound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A. | Deposit date: | 2015-09-10 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain. Front.Microbiol., 6, 2015
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6M5A
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![BU of 6m5a by Molmil](/molmil-images/mine/6m5a) | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | Descriptor: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | Authors: | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | Deposit date: | 2020-03-10 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121. Plos One, 15, 2020
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3O6R
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![BU of 3o6r by Molmil](/molmil-images/mine/3o6r) | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ... | Authors: | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | Deposit date: | 2010-07-29 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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6G1Y
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![BU of 6g1y by Molmil](/molmil-images/mine/6g1y) | Crystal structure of the photosensory core module (PCM) of a bathy phytochrome from Agrobacterium fabrum in the Pfr state. | Descriptor: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein | Authors: | Schmidt, A, Qureshi, B.M, Scheerer, P. | Deposit date: | 2018-03-22 | Release date: | 2018-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural snapshot of a bacterial phytochrome in its functional intermediate state. Nat Commun, 9, 2018
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3P9Y
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3OOS
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![BU of 3oos by Molmil](/molmil-images/mine/3oos) | The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne | Descriptor: | Alpha/beta hydrolase family protein, GLYCEROL, SULFATE ION, ... | Authors: | Fan, Y, Tan, K, Bigelow, L, Hamilton, J, Li, H, Zhou, Y, Clancy, S, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-08-31 | Release date: | 2010-11-10 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne To be Published
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7XJD
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![BU of 7xjd by Molmil](/molmil-images/mine/7xjd) | Crystal structure of bacteriorhodopsin in the ground state by red laser irradiation | Descriptor: | 2,10,23-TRIMETHYL-TETRACOSANE, 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, ... | Authors: | Taguchi, S, Niwa, S, Takeda, K. | Deposit date: | 2022-04-16 | Release date: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Detailed analysis of distorted retinal and its interaction with surrounding residues in the K intermediate of bacteriorhodopsin. Commun Biol, 6, 2023
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