8SP2
| Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form | Descriptor: | NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B | Authors: | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | Deposit date: | 2023-05-01 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc.Natl.Acad.Sci.USA, 121, 2024
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6O11
| E. coli cysteine desulfurase SufS C364A with a Cys-aldimine intermediate | Descriptor: | CHLORIDE ION, Cysteine desulfurase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | Authors: | Dunkle, J.A, Frantom, P.A. | Deposit date: | 2019-02-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues. J.Biol.Chem., 294, 2019
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6NY1
| CasX-gRNA-DNA(30bp) State II | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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6O10
| E. coli cysteine desulfurase SufS | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Frantom, P.A. | Deposit date: | 2019-02-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Direct observation of intermediates in the SufS cysteine desulfurase reaction reveals functional roles of conserved active-site residues. J.Biol.Chem., 294, 2019
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2DW6
| Crystal structure of the mutant K184A of D-Tartrate Dehydratase from Bradyrhizobium japonicum complexed with Mg++ and D-tartrate | Descriptor: | Bll6730 protein, D(-)-TARTARIC ACID, L(+)-TARTARIC ACID, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2006-08-07 | Release date: | 2006-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum Biochemistry, 45, 2006
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8SPA
| Structural insights into cellular control of the human CPEB3 prion, functionally regulated by a labile-amyloid-forming segment | Descriptor: | Cytoplasmic polyadenylation element-binding protein 3 | Authors: | Flores, M.D, Sawaya, M.R, Boyer, D.R, Zink, S, Fioriti, L, Rodriguez, J.A. | Deposit date: | 2023-05-02 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of a reversible amyloid fibril formed by the CPEB3 prion-like domain reveals a core sequence involved in translational regulation To Be Published
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8SUC
| NHL-2 NHL domain | Descriptor: | MAGNESIUM ION, NHL (Ring finger b-box coiled coil) domain containing protein | Authors: | Colson, R.N, Wilce, J.A. | Deposit date: | 2023-05-12 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | NHL-2 NHL domain To Be Published
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2DUT
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6OON
| Human Argonaute4 bound to guide RNA | Descriptor: | Protein argonaute-4, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*U)-3') | Authors: | Park, M.S, Brackbill, J.A, Nakanishi, K. | Deposit date: | 2019-04-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multidomain Convergence of Argonaute during RISC Assembly Correlates with the Formation of Internal Water Clusters. Mol.Cell, 75, 2019
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6O9Y
| Structure of human PARG complexed with JA2-8 | Descriptor: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OAL
| Structure of human PARG complexed with JA2120 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OBQ
| PP1 H66K in complex with Microcystin LR | Descriptor: | MANGANESE (II) ION, Microcystin LR, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | Deposit date: | 2019-03-21 | Release date: | 2019-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OA3
| Structure of human PARG complexed with JA2131 | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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8STC
| S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. | Descriptor: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | Deposit date: | 2023-05-09 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. To be published
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6OAK
| Structure of human PARG complexed with JA2131 | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | Deposit date: | 2019-03-16 | Release date: | 2020-03-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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1GON
| b-glucosidase from Streptomyces sp | Descriptor: | BETA-GLUCOSIDASE, MERCURY (II) ION, SULFATE ION | Authors: | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | Deposit date: | 2001-10-22 | Release date: | 2002-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Family 1 Beta-Glucosidase from Streptomyces To be Published
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2DW7
| Crystal structure of D-tartrate dehydratase from Bradyrhizobium japonicum complexed with Mg++ and meso-tartrate | Descriptor: | Bll6730 protein, MAGNESIUM ION, S,R MESO-TARTARIC ACID | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2006-08-07 | Release date: | 2006-12-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum Biochemistry, 45, 2006
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6O9M
| Structure of the human apo TFIIH | Descriptor: | CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ... | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
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6OA0
| Structure of human PARG complexed with JA2-9 | Descriptor: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OAC
| PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | Descriptor: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase. J.Med.Chem., 62, 2019
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8TEA
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6OBU
| PP1 Y134K in complex with Microcystin LR | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R. | Deposit date: | 2019-03-21 | Release date: | 2019-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | SDS22 selectively recognizes and traps metal-deficient inactive PP1. Proc.Natl.Acad.Sci.USA, 116, 2019
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2DTB
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6O9X
| Structure of human PARG complexed with JA2-4 | Descriptor: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OA1
| Structure of human PARG complexed with JA2120 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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