1FGO
 
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7DCP
 | | cryo-EM structure of the DEAH-box helicase Prp2 and coactivator Spp2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PRP2 isoform 1, ... | | Authors: | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-26 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7YRY
 | | F1-ATPase of Acinetobacter baumannii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Saw, W.-G, Grueber, G. | | Deposit date: | 2022-08-11 | | Release date: | 2023-06-21 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
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7DD3
 | | Cryo-EM structure of the pre-mRNA-loaded DEAH-box ATPase/helicase Prp2 in complex with Spp2 | | Descriptor: | PRP2 isoform 1, Pre-mRNA-splicing factor SPP2, pre-mRNA | | Authors: | Bai, R, Wan, R, Yan, C, Qi, J, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-27 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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4N7M
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4N6G
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7Y5A
 | | Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Wong, C.F, Saw, W.-G, Grueber, G. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5C
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5B
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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7Y5D
 | | Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 3) (backbone) | | Descriptor: | ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ... | | Authors: | Saw, W.-G, Wong, C.F, Grueber, G. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
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3IF5
 | | Crystal Structure Analysis of Mglu | | Descriptor: | Salt-tolerant glutaminase | | Authors: | Yoshimune, K, Shirakihara, Y. | | Deposit date: | 2009-07-24 | | Release date: | 2009-08-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of salt-tolerant glutaminase from Micrococcus luteus K-3 in the presence and absence of its product L-glutamate and its activator Tris.
Febs J., 277, 2010
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7ZGX
 | | S-layer Deinoxanthin Binding Complex, C1 symmetry | | Descriptor: | S-layer protein SlpA | | Authors: | Farci, D, Piano, D. | | Deposit date: | 2022-04-04 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
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7ZGY
 | | S-layer Deinoxanthin Binding Complex, C3 symmetry | | Descriptor: | (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ... | | Authors: | Farci, D, Piano, D. | | Deposit date: | 2022-04-04 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
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2DUH
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2DUE
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2DUG
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4DE3
 | | CTX-M-9 class A beta-lactamase complexed with compound 4 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DDY
 | | CTX-M-9 class A beta-lactamase complexed with compound 10 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DE1
 | | CTX-M-9 class A beta-lactamase complexed with compound 18 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4BJH
 | | Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ... | | Authors: | Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R. | | Deposit date: | 2013-04-18 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus.
Bmc Biochem., 14, 2013
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4DE2
 | | CTX-M-9 class A beta-lactamase complexed with compound 12 | | Descriptor: | 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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7JYM
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST | | Descriptor: | (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | | Authors: | Sack, J. | | Deposit date: | 2020-08-31 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.051 Å) | | Cite: | Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach.
Acs Med.Chem.Lett., 11, 2020
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7KQJ
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH A NOVEL TRICYCLIC-CARBOCYLIC RORGT INVERSE AGONIST | | Descriptor: | N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2020-11-16 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | Tricyclic-Carbocyclic ROR gamma t Inverse Agonists-Discovery of BMS-986313.
J.Med.Chem., 64, 2021
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4EW9
 | | The liganded structure of C. bescii family 3 pectate lyase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, ACETATE ION, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2012-04-26 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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4R51
 | | Crystal complex structure of sp-Aspartate-Semialdehyde-Dehydrogenase with Nicotinamide Adenine dinucleotide phosphate and phthalic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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