5WKS
| Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
|
|
5WL5
| Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.513 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
|
|
5ZQ1
| Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom | Descriptor: | RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029 | Authors: | Yu, H.L, Jiang, Y.Y. | Deposit date: | 2018-04-17 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD PLoS Pathog., 14, 2018
|
|
5YYF
| |
5ZKB
| Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with AF-DX 384 | Descriptor: | Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide | Authors: | Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T. | Deposit date: | 2018-03-23 | Release date: | 2018-11-21 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor Nat. Chem. Biol., 14, 2018
|
|
5ZQ0
| Crystal structure of spRlmCD with U747loop RNA | Descriptor: | RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029 | Authors: | Jiang, Y.Y, Yu, H.L. | Deposit date: | 2018-04-17 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD PLoS Pathog., 14, 2018
|
|
5ZB3
| Dimeric crystal structure of ORF57 from KSHV | Descriptor: | ORF57, ZINC ION | Authors: | Gao, Z.Q, Yuan, F, Dong, Y.H, Lan, K. | Deposit date: | 2018-02-09 | Release date: | 2018-08-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.506 Å) | Cite: | The crystal structure of KSHV ORF57 reveals dimeric active sites important for protein stability and function. PLoS Pathog., 14, 2018
|
|
7OPJ
| Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine | Descriptor: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ACETATE ION, GLYCEROL, ... | Authors: | Tassone, G, Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2021-05-31 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase. Pharmaceuticals, 14, 2021
|
|
1FZK
| MHC CLASS I NATURAL MUTANT H-2KBM1 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
|
|
7OSK
| Ignisphaera aggregans GH53 catalytic domain | Descriptor: | Arabinogalactan endo-1,4-beta-galactosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fredslund, F, Lo Leggio, L, Poulsen, J.C, Rasmussen, K.K, Muderspach, S, Krogh, K.B.R.M, Jensen, K. | Deposit date: | 2021-06-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Engineering the substrate binding site of the hyperthermostable archaeal endo-beta-1,4-galactanase from Ignisphaera aggregans. Biotechnol Biofuels, 14, 2021
|
|
7P0R
| Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation | Descriptor: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ... | Authors: | Mirgaux, M, Wouters, J. | Deposit date: | 2021-06-30 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
|
|
7OJM
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-16 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
|
|
7OKZ
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
|
|
7OTE
| Src Kinase Domain in complex with ponatinib | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GLYCEROL, ... | Authors: | Soriano-Maldonado, P, Cuesta-Hernandez, H.N, Plaza-Menacho, I. | Deposit date: | 2021-06-10 | Release date: | 2022-06-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An allosteric switch between the activation loop and a c-terminal palindromic phospho-motif controls c-Src function. Nat Commun, 14, 2023
|
|
7P33
| Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, BH3-interacting domain death agonist p15, ... | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | Deposit date: | 2021-07-07 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.78542733 Å) | Cite: | Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses, 14, 2022
|
|
7P9W
| Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, AMMONIUM ION, ... | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.00010061 Å) | Cite: | Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses, 14, 2022
|
|
7Q2C
| |
7Q2F
| mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT585 | Descriptor: | 1,2-ETHANEDIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DIMETHYL SULFOXIDE, ... | Authors: | Maveyraud, L, Galy, R, Mourey, L. | Deposit date: | 2021-10-25 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals, 14, 2021
|
|
7Q2B
| mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT218 | Descriptor: | 2-(phenylmethyl)imidazolidine, DIMETHYL SULFOXIDE, Hydroxymycolate synthase MmaA4, ... | Authors: | Maveyraud, L, Galy, R, Mourey, L. | Deposit date: | 2021-10-25 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals, 14, 2021
|
|
7Q2G
| mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT726 | Descriptor: | 8-oxidanylquinoline-2-carbaldehyde, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Maveyraud, L, Galy, R, Mourey, L. | Deposit date: | 2021-10-25 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals, 14, 2021
|
|
7Q2D
| mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT320 | Descriptor: | 1,2-ETHANEDIOL, 2-METHOXY-5-METHYLANILINE, DIMETHYL SULFOXIDE, ... | Authors: | Maveyraud, L, Galy, R, Mourey, L. | Deposit date: | 2021-10-25 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals, 14, 2021
|
|
7Q2H
| mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT275 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Hydroxymycolate synthase MmaA4, ... | Authors: | Maveyraud, L, Galy, R, Mourey, L. | Deposit date: | 2021-10-25 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study. Pharmaceuticals, 14, 2021
|
|
7Q2E
| |
1CNT
| CILIARY NEUROTROPHIC FACTOR | Descriptor: | CILIARY NEUROTROPHIC FACTOR, SULFATE ION, YTTERBIUM (III) ION | Authors: | Mcdonald, N.Q, Panayotatos, N, Hendrickson, W.A. | Deposit date: | 1996-06-06 | Release date: | 1997-03-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of dimeric human ciliary neurotrophic factor determined by MAD phasing. EMBO J., 14, 1995
|
|
1J8V
| Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme Exo1 in complex with 4'-nitrophenyl 3I-thiolaminaritrioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ... | Authors: | Hrmova, M, De Gori, R, Smith, B.J, Fairweather, J.K, Driguez, H, Varghese, J.N, Fincher, G.B. | Deposit date: | 2001-05-22 | Release date: | 2002-06-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for broad substrate specificity in higher plant beta-D-glucan glucohydrolases. Plant Cell, 14, 2002
|
|