7K1W
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8GDN
| Structure of PmHMGR bound to mevalonate, CoA and NAD. | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, COENZYME A, ... | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | Deposit date: | 2023-03-06 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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8GER
| E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | Authors: | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2023-03-07 | Release date: | 2024-03-20 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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7JWW
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7UM9
| Human ALDH1A1 with bound compound CM38 | Descriptor: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D. | Deposit date: | 2022-04-06 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer. Cancers (Basel), 14, 2022
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8GEO
| E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide | Descriptor: | 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL | Authors: | Simpson, J.B, Redinbo, M.R. | Deposit date: | 2023-03-07 | Release date: | 2024-03-20 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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7K4X
| Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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8GET
| R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Simpson, J.B, Redinbo, M.R. | Deposit date: | 2023-03-07 | Release date: | 2024-03-20 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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7JZ2
| Succinate: quinone oxidoreductase SQR from E.coli K12 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W. | Deposit date: | 2020-09-01 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. Nat.Methods, 18, 2021
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7K0Y
| Cryo-EM structure of activated-form DNA-PK (complex VI) | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Chen, X, Gellert, M, Yang, W. | Deposit date: | 2020-09-06 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of an activated DNA-PK and its implications for NHEJ. Mol.Cell, 81, 2021
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8UGT
| E. eligens beta-glucuronidase bound to UNC10206581-G | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ... | Authors: | Simpson, J.B, Redinbo, M.R. | Deposit date: | 2023-10-06 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity. Rsc Chem Biol, 5, 2024
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7UWH
| CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex bound to ribonucleotide substrate | Descriptor: | DNA (59-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | Deposit date: | 2022-05-03 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | RNA polymerase drives ribonucleotide excision DNA repair in E. coli. Cell, 186, 2023
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7K2V
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7K4Y
| Crystal structure of Kemp Eliminase HG3.17 at 343 K | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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7JPK
| Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-09 | Release date: | 2020-11-18 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7UZM
| Glutamate dehydrogenase 1 from human liver | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | Authors: | Zhang, Z. | Deposit date: | 2022-05-09 | Release date: | 2023-05-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | High-resolution structural-omics of human liver enzymes. Cell Rep, 42, 2023
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8UVQ
| Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/down) | Descriptor: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | Deposit date: | 2023-11-03 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors. Commun Chem, 7, 2024
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7UWE
| CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | Deposit date: | 2022-05-03 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | RNA polymerase drives ribonucleotide excision DNA repair in E. coli. Cell, 186, 2023
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8VBY
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7JPL
| Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-09 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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8UVP
| Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up) | Descriptor: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | Deposit date: | 2023-11-03 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors. Commun Chem, 7, 2024
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8UV2
| Human p97/VCP structure with a triazole inhibitor (NSC799462/hexamer) | Descriptor: | 3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | Deposit date: | 2023-11-02 | Release date: | 2024-08-21 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors. Commun Chem, 7, 2024
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7K4Z
| Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | Deposit date: | 2020-09-16 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
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8UVO
| Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC804515) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide, Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | Deposit date: | 2023-11-03 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors. Commun Chem, 7, 2024
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8UOS
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