6VJQ
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6Q37
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![BU of 6q37 by Molmil](/molmil-images/mine/6q37) | Complex of Arginase 2 with Example 23 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, ... | Authors: | Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A. | Deposit date: | 2018-12-03 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II. J.Med.Chem., 62, 2019
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5YW2
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5KVS
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![BU of 5kvs by Molmil](/molmil-images/mine/5kvs) | Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica | Descriptor: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2016-07-15 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis. Biochemistry, 55, 2016
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8WM0
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![BU of 8wm0 by Molmil](/molmil-images/mine/8wm0) | Crystal structure of TNIK-thiopeptide wTP3 complex | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2023-10-01 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides. J.Am.Chem.Soc., 2024
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6CHQ
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![BU of 6chq by Molmil](/molmil-images/mine/6chq) | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Descriptor: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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8OUF
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![BU of 8ouf by Molmil](/molmil-images/mine/8ouf) | The H/ACA RNP lobe of human telomerase with the dyskerin thumb loop in an open conformation | Descriptor: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... | Authors: | Ghanim, G.E, Sekne, Z, van Roon, A.M.M, Balch, S, Nguyen, T.H.D. | Deposit date: | 2023-04-22 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | 2.7 angstrom cryo-EM structure of human telomerase H/ACA ribonucleoprotein. Nat Commun, 15, 2024
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5LA1
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![BU of 5la1 by Molmil](/molmil-images/mine/5la1) | The mechanism by which arabinoxylanases can recognise highly decorated xylans | Descriptor: | CALCIUM ION, Carbohydrate binding family 6, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ... | Authors: | Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H. | Deposit date: | 2016-06-13 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans. J.Biol.Chem., 291, 2016
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8OIH
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![BU of 8oih by Molmil](/molmil-images/mine/8oih) | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group C 2 2 21) | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, BROMIDE ION, ... | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | Deposit date: | 2023-03-22 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism. Mol.Biol.Evol., 40, 2023
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8OIW
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![BU of 8oiw by Molmil](/molmil-images/mine/8oiw) | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group P 21 21 21) | Descriptor: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | Authors: | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | Deposit date: | 2023-03-23 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism. Mol.Biol.Evol., 40, 2023
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6WE6
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![BU of 6we6 by Molmil](/molmil-images/mine/6we6) | Camphor bound P450cam D251E structure | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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4UIH
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![BU of 4uih by Molmil](/molmil-images/mine/4uih) | Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation. | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
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8P8S
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![BU of 8p8s by Molmil](/molmil-images/mine/8p8s) | Recombinant Ym2 crystal structure | Descriptor: | 1,2-ETHANEDIOL, Chitinase-like protein 4 | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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5A6Y
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![BU of 5a6y by Molmil](/molmil-images/mine/5a6y) | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, GLYCEROL, ... | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | Deposit date: | 2015-07-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery. Chem Sci, 7, 2016
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4UNL
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![BU of 4unl by Molmil](/molmil-images/mine/4unl) | Crystal structure of a single mutant (N71D) of triosephosphate isomerase from human | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | Deposit date: | 2014-05-29 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of a Single Mutant (N71D) of Triosephosphate Isomerase from Human To be Published
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6QE9
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![BU of 6qe9 by Molmil](/molmil-images/mine/6qe9) | The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands | Descriptor: | Ribonuclease pancreatic, SULFATE ION, pentacoordinate Pt(II) compound | Authors: | Merlino, A, Ferraro, G. | Deposit date: | 2019-01-07 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Reaction with Proteins of a Five-Coordinate Platinum(II) Compound. Int J Mol Sci, 20, 2019
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7SEI
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![BU of 7sei by Molmil](/molmil-images/mine/7sei) | Glucose-6-phosphate 1-dehydrogenase (K403Q) | Descriptor: | Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D. | Deposit date: | 2021-09-30 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants. J.Biol.Chem., 298, 2022
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6F8S
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![BU of 6f8s by Molmil](/molmil-images/mine/6f8s) | Toxin-Antitoxin complex GraTA | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative Killer protein, SULFATE ION, ... | Authors: | Talavera, A, Loris, R. | Deposit date: | 2017-12-13 | Release date: | 2018-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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4UPG
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6FBI
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![BU of 6fbi by Molmil](/molmil-images/mine/6fbi) | KlenTaq DNA polymerase in a closed, ternary complex with dGpNHpp bound in the active site | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8OIO
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![BU of 8oio by Molmil](/molmil-images/mine/8oio) | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... | Authors: | Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | Deposit date: | 2023-03-23 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide To Be Published
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4UIQ
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![BU of 4uiq by Molmil](/molmil-images/mine/4uiq) | Isolated globin domain of the Bordetella pertussis globin-coupled sensor with a heme at the dimer interface | Descriptor: | GLOBIN-COUPLED SENSOR WITH DIGUANYLATE CYCLASE ACTIVITY, GLYCEROL, IMIDAZOLE, ... | Authors: | Germani, F, Donne, J, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of a Putative Allosteric Site in the Sensor Domain of Bordetella Pertussis Globin- Coupled Sensor for the Control of Biofilm Formation To be Published
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6QIT
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![BU of 6qit by Molmil](/molmil-images/mine/6qit) | Crystal structure of CAG repeats with synthetic CMBL3b compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6WIF
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![BU of 6wif by Molmil](/molmil-images/mine/6wif) | Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid To Be Published
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5ZBB
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![BU of 5zbb by Molmil](/molmil-images/mine/5zbb) | Crystal structure of Rtt109-Asf1-H3-H4 complex | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA damage response protein Rtt109, putative, ... | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109. Cell, 174, 2018
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