9EZJ
 
 | | Apo human TDO in complex with a bound inhibitor (Cpd-4) | | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | | Authors: | Wicki, M, Mac Sweeney, A. | | Deposit date: | 2024-04-12 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2
To Be Published
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9EZ8
 | | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba. | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P. | | Deposit date: | 2024-04-11 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
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9EYR
 | | VDR complex with gemini analog UG-480 | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2024-04-09 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
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9EY8
 | | Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (s)-amino-L-tyrosine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ng, Y.M, Soler-Lopez, M. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
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9EY7
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9EY6
 | | Crystal structure of human tyrosinase-related protein 1 (TYRP1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | | Authors: | Ng, Y.M, Soler-Lopez, M. | | Deposit date: | 2024-04-09 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.228 Å) | | Cite: | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
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9EY5
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9EWK
 | | Solvent organization in ultrahigh-resolution protein crystal structure at room temperature | | Descriptor: | Crambin, ETHANOL | | Authors: | Chen, J.C.-H, Gilski, M, Chang, C, Borek, D, Rosenbaum, G, Lavens, A, Otwinowski, Z, Kubicki, M, Dauter, Z, Jaskolski, M, Joachimiak, A. | | Deposit date: | 2024-04-04 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (0.7 Å) | | Cite: | Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature.
Iucrj, 11, 2024
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9EVR
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9EVQ
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9EVM
 | | High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 MGy] | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2024-03-30 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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9EV4
 | | Pyruvate:quinone oxidoreductase (PQO) from Corynebacterium glutamicum CS176 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thiamine pyrophosphate-requiring enzymes [acetolactate synthase, pyruvate dehydrogenase (Cytochrome), ... | | Authors: | Da Silva Lameira, C, Muenssinger, S, Yang, L, Eikmanns, B.J, Bellinzoni, M. | | Deposit date: | 2024-03-28 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.474 Å) | | Cite: | Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features.
Febs J., 2024
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9EUY
 | | Cryo-EM structure of the full-length Pseudomonas aeruginosa bacteriophytochrome in its Pfr state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Bodizs, S, Westenhoff, S. | | Deposit date: | 2024-03-28 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Cryo-EM structures of a bathy phytochrome histidine kinase reveal a unique light-dependent activation mechanism.
Structure, 2024
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9EUT
 | | Cryo-EM structure of the full-length Pseudomonas aeruginosa bacteriophytochrome in its Pr state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Bodizs, S, Westenhoff, S. | | Deposit date: | 2024-03-28 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Cryo-EM structures of a bathy phytochrome histidine kinase reveal a unique light-dependent activation mechanism.
Structure, 2024
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9EUS
 | | Mpro from SARS-CoV-2 with R298A mutation | | Descriptor: | GLYCEROL, Replicase polyprotein 1a | | Authors: | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | Deposit date: | 2024-03-28 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9EUD
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23c | | Descriptor: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Meyners, C, Buffa, V, Hausch, F. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-12 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.022 Å) | | Cite: | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9EU5
 | | SSX structure of Autotaxin at room temperature | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | Authors: | Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S. | | Deposit date: | 2024-03-27 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
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9ETK
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9EST
 | | STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX | | Descriptor: | (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F. | | Deposit date: | 1991-01-14 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex.
Biochemistry, 30, 1991
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9ERO
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9ERN
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9ERM
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9EQK
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9EQH
 | | WWP2 WW2-2,3-linker-HECT (WWP2-LH) | | Descriptor: | GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION | | Authors: | Dudey, A.P, Hemmings, A.M. | | Deposit date: | 2024-03-21 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Expanding the Inhibitor Space of the WWP1 and WWP2 HECT E3 Ligases
To Be Published
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9EQF
 | | Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Hardy, F.J. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
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