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7RRD	IDO1 IN COMPLEX WITH COMPOUND S-1 Descriptor: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 Authors: Lesburg, C.A. Deposit date: 2021-08-09 Release date: 2022-08-24 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing To Be Published
5K9D	Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... Authors: Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. Deposit date: 2016-05-31 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett, 7, 2016
6KH2	Crystal structure of Nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132L/W176Y from Escherichia coli Descriptor: Probable nicotinate-nucleotide adenylyltransferase Authors: Feng, Y, Xue, S, Zhao, Z, Wang, X. Deposit date: 2019-07-12 Release date: 2020-07-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3.04 Å) Cite: Crystal structure of Nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132L/W176Y from Escherichia coli To Be Published
7Z3N	Cryo-EM structure of the ribosome-associated RAC complex on the 80S ribosome - RAC-1 conformation Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... Authors: Kisonaite, M, Wild, K, Sinning, I. Deposit date: 2022-03-02 Release date: 2023-04-12 Last modified: 2023-05-31 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural inventory of cotranslational protein folding by the eukaryotic RAC complex. Nat.Struct.Mol.Biol., 30, 2023
7Z3O	Cryo-EM structure of the ribosome-associated RAC complex on the 80S ribosome - RAC-2 conformation Descriptor: 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... Authors: Kisonaite, M, Wild, K, Sinning, I. Deposit date: 2022-03-02 Release date: 2023-04-12 Last modified: 2023-05-31 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Structural inventory of cotranslational protein folding by the eukaryotic RAC complex. Nat.Struct.Mol.Biol., 30, 2023
7S3V	Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine Descriptor: Kynureninase Authors: Burkholder, N.T, Zhang, Y.J. Deposit date: 2021-09-08 Release date: 2022-12-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (3.249 Å) Cite: Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme. Nat Catal, 5, 2022
7SKB	Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii Descriptor: Aspartate-semialdehyde dehydrogenase, L(+)-TARTARIC ACID Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-10-20 Release date: 2021-11-03 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii to be published
5UE9	WT DHODB with orotate bound Descriptor: CHLORIDE ION, Dihydroorotate dehydrogenase, Dihydroorotate dehydrogenase B (NAD(+)), ... Authors: Pompeu, Y.A, Stewart, J.D. Deposit date: 2016-12-29 Release date: 2017-09-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.72 Å) Cite: Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits to be published
7TCM	Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii in complex with NADP Descriptor: Aspartate-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2021-12-27 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii in complex with NADP to be published
6L6Z	Cryo-EM structure of the Drosophila CTP synthase substrate-bound filament Descriptor: CTP synthase Authors: Ji-Long, L, Xian, Z, Chen-Jun, G. Deposit date: 2019-10-30 Release date: 2020-03-18 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (6.09 Å) Cite: Drosophila CTP synthase can form distinct substrate- and product-bound filaments. J Genet Genomics, 46, 2019
6KOF	Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Peng, Y.H, Wu, S.Y. Deposit date: 2019-08-09 Release date: 2020-03-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.263 Å) Cite: Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
6KW7	Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 Descriptor: 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Peng, Y.H, Wu, S.Y. Deposit date: 2019-09-06 Release date: 2020-03-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3.02 Å) Cite: Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
6KPS	Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 Descriptor: 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Peng, Y.H, Wu, S.Y. Deposit date: 2019-08-16 Release date: 2020-03-25 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
5VKW	Crystal structure of adenylosuccinate lyase ADE13 from Candida albicans Descriptor: Adenylosuccinate lyase, CALCIUM ION, CHLORIDE ION, ... Authors: Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2017-04-24 Release date: 2017-05-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.998 Å) Cite: Crystal structure of adenylosuccinate lyase ADE13 from Candida albicans To Be Published
6LFG	Cryo-EM structure of the Drosophila CTP synthase product-bound filament Descriptor: CTP synthase Authors: Ji-long, L, Xian, Z, Chen-Jun, G. Deposit date: 2019-12-02 Release date: 2020-03-18 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (9.58 Å) Cite: Drosophila CTP synthase can form distinct substrate- and product-bound filaments. J Genet Genomics, 46, 2019
5KSW	DHODB-I74D mutant Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydroorotate dehydrogenase, ... Authors: Pompeu, Y.A, Stewart, J.D. Deposit date: 2016-07-10 Release date: 2016-08-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Isoleucine 74 Plays a Key Role in Controlling Electron Transfer Between Lactococcus lactis Dihydroorotate Dehydrogenase 1B Subunits To Be Published
5VMQ	STRUCTURE OF THE R105A MUTANT CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE AT 2.0-A RESOLUTION Descriptor: Aspartate carbamoyltransferase, CALCIUM ION, CHLORIDE ION Authors: Beernink, P.T, Endrizzi, J.A. Deposit date: 2017-04-28 Release date: 2017-05-24 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.012 Å) Cite: Charge neutralization in the active site of the catalytic trimer of aspartate transcarbamoylase promotes diverse structural changes. Protein Sci., 26, 2017
5V4L	Cryptococcus neoformans adenylosuccinate lyase Descriptor: Adenylosuccinate lyase Authors: Chitty, J, Williams, S.J, Kobe, B, Fraser, J.A. Deposit date: 2017-03-09 Release date: 2017-06-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Cryptococcus neoformans ADS lyase is an enzyme essential for virulence whose crystal structure reveals features exploitable in antifungal drug design. J. Biol. Chem., 292, 2017
5K9C	Crystal structure of human dihydroorotate dehydrogenase with ML390 Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... Authors: Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. Deposit date: 2016-05-31 Release date: 2016-10-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett, 7, 2016
9C1E	Mink RyR3 in closed conformation Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 3, ... Authors: Chen, Y.S, Van Petegem, F. Deposit date: 2024-05-29 Release date: 2024-10-16 Last modified: 2024-10-30 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: Cryo-EM investigation of ryanodine receptor type 3. Nat Commun, 15, 2024
9BEI	Cryo-EM structure of synthetic claudin-4 complex with Clostridium perfringens enterotoxin C-terminal domain, sFab COP-2, and Nanobody Descriptor: Anti-fab nanobody, COP-2 Fab Heavy chain, COP-2 Fab Light chain, ... Authors: Vecchio, A.J. Deposit date: 2024-04-15 Release date: 2024-04-24 Last modified: 2024-10-16 Method: ELECTRON MICROSCOPY (4.16 Å) Cite: Computational design of soluble and functional membrane protein analogues. Nature, 631, 2024
9C1F	Mink RyR3 in open conformation bound to Ca2+/ATP/caffeine Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... Authors: Chen, Y.S, Van Petegem, F. Deposit date: 2024-05-29 Release date: 2024-10-16 Method: ELECTRON MICROSCOPY (3.22 Å) Cite: Cryo-EM investigation of ryanodine receptor type 3. Nat Commun, 15, 2024
4EEI	Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... Authors: Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2012-03-28 Release date: 2012-04-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.921 Å) Cite: Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate To be Published
8EK7	Crystal structure of Hepes and Mg bound 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2022-09-20 Release date: 2022-09-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of Hepes and Mg bound 2,3-diketo-5-methylthiopentyl-1-phosphate enolase-phosphatase from Klebsiella aerogenes To be published
8CHI	Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one Descriptor: (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP1A Authors: Meyners, C, Purder, P.L, Hausch, F. Deposit date: 2023-02-08 Release date: 2023-09-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023

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