8BRF
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6KG2
| Human MTHFD2 in complex with Compound 18 | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | Deposit date: | 2019-07-10 | Release date: | 2019-11-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J.Med.Chem., 62, 2019
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8BTT
| Structure of human RTCB | Descriptor: | MANGANESE (II) ION, RNA-splicing ligase RtcB homolog | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease. Nat Commun, 15, 2024
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6DWG
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7MPP
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6KGH
| Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis (apo-form) | Descriptor: | COBALT (II) ION, Penicillin-binding protein PbpB, SODIUM ION | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-11 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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8BUW
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7MPM
| Bartonella henselae NrnC bound to pAA | Descriptor: | 5'-phosphorylated AA, NanoRNase C | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2021-05-04 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases. Elife, 10, 2021
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6R45
| Crystal structure of eukaryotic O-GlcNAcase HAT-like domain | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase | Authors: | Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Crystal structure of eukaryotic O-GlcNAcase HAT-like domain To Be Published
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6K0S
| Catalytic domain of GH87 alpha-1,3-glucanase D1069A in complex with nigerose | Descriptor: | ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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6H2H
| Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam. | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, POLYETHYLENE GLYCOL (N=34) | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | Deposit date: | 2018-07-13 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry, 58, 2019
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5VJO
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6K16
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6H5G
| Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | Descriptor: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 6, 2019
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7MPN
| Bartonella henselae NrnC bound to pGC | Descriptor: | 5'-phosphorylated GC, NanoRNase C | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2021-05-04 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases. Elife, 10, 2021
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5VKA
| Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and N-omega-hydroxy-L-arginine | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION, ... | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-04-21 | Release date: | 2017-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.169 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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6KGR
| LSD1-FCPA-MPE N5 adduct model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Niwa, H, Sato, S, Handa, N, Umehara, T. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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8TQD
| NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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8BSY
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7MPR
| Brucella melitensis NrnC | Descriptor: | NanoRNase C, SULFATE ION | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2021-05-04 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases. Elife, 10, 2021
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5VKI
| Crystal structure of P[19] rotavirus VP8* complexed with mucin core 2 | Descriptor: | GLYCEROL, Outer capsid protein VP4, SULFATE ION, ... | Authors: | Xu, S, Liu, Y, Woodruff, A, Zhong, W, Jiang, X, Kennedy, M.A. | Deposit date: | 2017-04-21 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution. PLoS Pathog., 13, 2017
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8BTX
| Structure of human Archease | Descriptor: | Protein archease | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease. Nat Commun, 15, 2024
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6DXR
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8BVI
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7MPO
| Bartonella henselae NrnC bound to pAp | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, NanoRNase C | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2021-05-04 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural characterization of NrnC identifies unifying features of dinucleotidases. Elife, 10, 2021
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