5VEP
| MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-05 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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6CR1
| adalimumab EFab | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of adalimumab EFab (VH-IgE CH2), Light chain of adalimumab EFab (VL-IgE CH2), ... | Authors: | Arndt, J.W. | Deposit date: | 2018-03-16 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | EFab domain substitution as a solution to the light-chain pairing problem of bispecific antibodies. MAbs, 10, 2018
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4I60
| Crystal structure of avidin - biotinylruthenocene complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin, [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium | Authors: | Strzelczyk, P, Bujacz, A, Bujacz, G. | Deposit date: | 2012-11-29 | Release date: | 2013-08-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigation of the interactions of biotinylruthenocene with avidin. Chem.Biol.Interact, 204, 2013
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6KG0
| NifS from Helicobacter pylori, soaked with L-cysteine for 118 sec | Descriptor: | CHLORIDE ION, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL, ... | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes. Febs J., 287, 2020
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1MCX
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6KLK
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5H33
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6LJJ
| Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ... | Authors: | Liang, R, Peng, G.Q. | Deposit date: | 2019-12-16 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development. J.Biol.Chem., 296, 2020
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6F6Z
| Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | Deposit date: | 2017-12-06 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies Int J Mol Sci, 22, 2021
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6LGT
| Complex structure of HPPD with an inhibitor Y16542 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ... | Authors: | Lin, H.Y, Yang, W.C, Yang, G.F. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 68, 2020
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6LJ3
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5HKE
| bile salt hydrolase from Lactobacillus salivarius | Descriptor: | Bile salt hydrolase, PHOSPHATE ION | Authors: | Hu, X.-J. | Deposit date: | 2016-01-14 | Release date: | 2016-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of bile salt hydrolase from Lactobacillus salivarius. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5HU9
| Crystal structure of ABL1 in complex with CHMFL-074 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2016-01-27 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML) Oncotarget, 7, 2016
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6FTD
| Deinococcus radiodurans BphP PAS-GAF H290T mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 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, ACETATE ION, ... | Authors: | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | Deposit date: | 2018-02-21 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Coordination of the biliverdin D-ring in bacteriophytochromes. Phys Chem Chem Phys, 20, 2018
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6G4C
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6G2X
| Crystal structure of the p97 D2 domain in a helical split-washer conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | Deposit date: | 2018-03-23 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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6G30
| Crystal structure of the p97 D2 domain in a helical split-washer conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | Deposit date: | 2018-03-23 | Release date: | 2019-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.418 Å) | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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5HIW
| Sorangium cellulosum So Ce56 cytochrome P450 260B1 | Descriptor: | Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | Deposit date: | 2016-01-12 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1. Febs Lett., 590, 2016
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6GDW
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6G4F
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6GDV
| Structure of CutA from Synechococcus elongatus PCC7942 complexed with Bis-Tris molecule | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic divalent cation tolerance protein | Authors: | Tremino, L, Rubio, V. | Deposit date: | 2018-04-24 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role. Febs J., 2020
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6LR9
| HSP90 in complex with Debio0932 | Descriptor: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-15 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932. Acta Crystallogr D Struct Biol, 77, 2021
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6LTK
| HSP90 in complex with SNX-2112 | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112. Front Cell Dev Biol, 9, 2021
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6GDX
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6G2W
| Crystal structure of the p97 D2 domain in a helical split-washer conformation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | Deposit date: | 2018-03-23 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.678 Å) | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding. Febs Lett., 594, 2020
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