6D5K
| Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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6D5O
| Hexagonal thermolysin (295 K) in the presence of 50% DMF | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, LYSINE, ... | Authors: | Juers, D.H. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.00005221 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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6DBY
| Crystal structure of Nudix 1 from Arabidopsis thaliana | Descriptor: | MAGNESIUM ION, Nudix hydrolase 1 | Authors: | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | Deposit date: | 2018-05-03 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of isopentenyl phosphate to plant terpenoid metabolism. Nat Plants, 4, 2018
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6D5W
| Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole, GTPase HRas, MAGNESIUM ION, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2019-03-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.478 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6DC0
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6D6F
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6D6P
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5K3F
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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5KEE
| Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92F at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2016-06-09 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92F at cryogenic temperature To be Published
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7Y2D
| HSA-Cu agent complex | Descriptor: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine, PALMITIC ACID, Serum albumin | Authors: | Zhang, Z.L, Yang, F. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of HSA-Cu agent complex To Be Published
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5K53
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6DEL
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DES
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5K5R
| AspA-32mer DNA,crystal form 2 | Descriptor: | AspA, DNA (32-MER), PHOSPHATE ION | Authors: | Schumacher, M. | Deposit date: | 2016-05-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structures of archaeal DNA segregation machinery reveal bacterial and eukaryotic linkages. Science, 349, 2015
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8EG3
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7YJB
| Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and Eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, chalcone synthase 1 (ScCHS1) | Authors: | Li, J.X, Cheng, A.X, Zhang, P. | Deposit date: | 2022-07-19 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular and structural characterization of a promiscuous chalcone synthase from the fern species Stenoloma chusanum. J Integr Plant Biol, 64, 2022
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7YJ6
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6DBM
| Tyk2 with compound 23 | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6DGF
| Ubiquitin Variant bound to USP2 | Descriptor: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ... | Authors: | Manczyk, N, Sicheri, F. | Deposit date: | 2018-05-17 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases. J. Mol. Biol., 431, 2019
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7YJ9
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7YJA
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6DHL
| Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG) | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial | Authors: | Smith, T.J. | Deposit date: | 2018-05-20 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (3.624 Å) | Cite: | Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site. J. Biol. Chem., 286, 2011
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4V1K
| SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | Descriptor: | 2-HYDROXY BUTANE-1,4-DIOL, CALCIUM ION, CARBOHYDRATE BINDING MODULE, ... | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-29 | Release date: | 2016-01-20 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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6DIM
| Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DIZ
| EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | Deposit date: | 2018-05-24 | Release date: | 2019-04-24 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid. Plos Pathog., 15, 2019
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