2ZG0
 
 | | Exploring thrombin S3 pocket | | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ... | | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-01-16 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Exploring thrombin S3 pocket
To be Published
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3II9
 | | Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ... | | Authors: | Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-07-31 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments.
J.Am.Chem.Soc., 132, 2010
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7PVN
 | | Crystal Structure of Human UBA6 in Complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Truongvan, N, Li, S, Schindelin, H. | | Deposit date: | 2021-10-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
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2ZYF
 | | Crystal structure of homocitrate synthase from Thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, Homocitrate synthase, MAGNESIUM ION | | Authors: | Okada, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | | Deposit date: | 2009-01-20 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from thermus thermophilus
J.Biol.Chem., 2009
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8PAR
 | | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | Authors: | Schaefer, M. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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7PHE
 | | Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK | | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Authors: | Dinis, P, MetsaKetela, M. | | Deposit date: | 2021-08-17 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
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2ZYS
 | | A. Fulgidus lipase with fatty acid fragment and chloride | | Descriptor: | CHLORIDE ION, Lipase, putative, ... | | Authors: | Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding.
J.Mol.Biol., 390, 2009
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7ATL
 | | EstCE1, a hydrolase with promiscuous acyltransferase activity | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... | | Authors: | Palm, G.J, Lammers, M, Berndt, L. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.478 Å) | | Cite: | Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3ISJ
 | | Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide | | Descriptor: | 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2009-08-26 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
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7AV7
 | | Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+ | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ... | | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
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7PHT
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7AX8
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7DXG
 | | Structure of SAR7334-bound TRPC6 at 2.9 angstrom | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile, CALCIUM ION, ... | | Authors: | Chen, L, Guo, W. | | Deposit date: | 2021-01-18 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Neuron, 110, 2022
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7K7U
 | | BetaB2-crystallin | | Descriptor: | Beta-crystallin B2 | | Authors: | Tan, L.L, Jackson, C.J. | | Deposit date: | 2020-09-24 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | BetaB2-crystallin
To Be Published
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7AXE
 | | Crystal structure of the hPXR-LBD in complex with oxadiazon | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | | Authors: | Harrus, D, Delfosse, V, Bourguet, W. | | Deposit date: | 2020-11-09 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7DYX
 | | Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid. | | Descriptor: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-01-23 | | Release date: | 2022-02-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
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7SN4
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3ITE
 | | The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase | | Descriptor: | CHLORIDE ION, SULFATE ION, SidN siderophore synthetase | | Authors: | Lee, T.V, Lott, J.S, Johnson, R.D, Johnson, L.J, Arcus, V.L. | | Deposit date: | 2009-08-28 | | Release date: | 2009-11-17 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis
J.Biol.Chem., 285, 2010
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7B0J
 | | TRPC4 in LMNG detergent | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, Transient receptor potential cation channel subfamily c member 4a | | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | | Deposit date: | 2020-11-20 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
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7DYU
 | | Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-01-23 | | Release date: | 2022-02-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | 5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
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7E8S
 | | Intact TRAPPII (state I). | | Descriptor: | TRAPP-associated protein TCA17, Trafficking protein particle complex II-specific subunit 120, Trafficking protein particle complex II-specific subunit 130, ... | | Authors: | Mi, C.C, Sui, S.F. | | Deposit date: | 2021-03-02 | | Release date: | 2022-02-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.36 Å) | | Cite: | Structural basis for assembly of TRAPPII complex and specific activation of GTPase Ypt31/32.
Sci Adv, 8, 2022
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3ITY
 | | Metal-free form of Pseudomonas stutzeri L-rhamnose isomerase | | Descriptor: | L-rhamnose isomerase | | Authors: | Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S. | | Deposit date: | 2009-08-28 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
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7K6V
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7PL7
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2M6W
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