8SVS
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![BU of 8svs by Molmil](/molmil-images/mine/8svs) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-328 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1 | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVT
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![BU of 8svt by Molmil](/molmil-images/mine/8svt) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331 | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVQ
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![BU of 8svq by Molmil](/molmil-images/mine/8svq) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVX
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![BU of 8svx by Molmil](/molmil-images/mine/8svx) | Crystal structure of the L428V mutant of pregnane X receptor ligand binding domain in complex with SJPYT-331 | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ... | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SVO
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![BU of 8svo by Molmil](/molmil-images/mine/8svo) | Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310 | Descriptor: | (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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139D
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![BU of 139d by Molmil](/molmil-images/mine/139d) | |
8SVN
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![BU of 8svn by Molmil](/molmil-images/mine/8svn) | Crystal structure of the apo form of pregnane X receptor ligand binding domain | Descriptor: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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136D
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![BU of 136d by Molmil](/molmil-images/mine/136d) | |
5MBU
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![BU of 5mbu by Molmil](/molmil-images/mine/5mbu) | CeuE (H227A, Y288F variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | Enterochelin uptake periplasmic binding protein | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-11-08 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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5NO3
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![BU of 5no3 by Molmil](/molmil-images/mine/5no3) | RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate without uS3) | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R. | Deposit date: | 2017-04-10 | Release date: | 2017-05-31 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (5.16 Å) | Cite: | RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket. Nucleic Acids Res., 45, 2017
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5NPU
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![BU of 5npu by Molmil](/molmil-images/mine/5npu) | Inferred ancestral pyruvate decarboxylase | Descriptor: | ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2017-04-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase. Acta Crystallogr F Struct Biol Commun, 74, 2018
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8SZV
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![BU of 8szv by Molmil](/molmil-images/mine/8szv) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Miller, D.J, Li, Y, Chen, T. | Deposit date: | 2023-05-30 | Release date: | 2023-10-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31, 2023
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135D
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![BU of 135d by Molmil](/molmil-images/mine/135d) | |
1NOD
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![BU of 1nod by Molmil](/molmil-images/mine/1nod) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1998-03-05 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
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8SWJ
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![BU of 8swj by Molmil](/molmil-images/mine/8swj) | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 To be published
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5LUF
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![BU of 5luf by Molmil](/molmil-images/mine/5luf) | Cryo-EM of bovine respirasome | Descriptor: | COPPER (II) ION, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | Authors: | Sousa, J.S, Mills, D.J, Vonck, J, Kuehlbrandt, W. | Deposit date: | 2016-09-08 | Release date: | 2016-11-30 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (9.1 Å) | Cite: | Functional asymmetry and electron flow in the bovine respirasome. Elife, 5, 2016
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8T8E
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![BU of 8t8e by Molmil](/molmil-images/mine/8t8e) | cryoEM structure of Smc5/6 5mer | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6 | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-22 | Release date: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions. Proc.Natl.Acad.Sci.USA, 120, 2023
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8T8F
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![BU of 8t8f by Molmil](/molmil-images/mine/8t8f) | Smc5/6 8mer | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ... | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-22 | Release date: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions. Proc.Natl.Acad.Sci.USA, 120, 2023
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8SXS
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![BU of 8sxs by Molmil](/molmil-images/mine/8sxs) | |
8QZE
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![BU of 8qze by Molmil](/molmil-images/mine/8qze) | Heme-domain BM3 variant 21B3_F87V-A328F | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ... | Authors: | Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C. | Deposit date: | 2023-10-27 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3) Mol Catal, 557, 2024
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8QQF
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![BU of 8qqf by Molmil](/molmil-images/mine/8qqf) | TBC1D23 PH domain complexed with STX16 TLY motif | Descriptor: | GLYCEROL, PHOSPHATE ION, Syntaxin-16, ... | Authors: | Kaufman, J.G, Owen, D.J. | Deposit date: | 2023-10-04 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cargo selective vesicle tethering: The structural basis for binding of specific cargo proteins by the Golgi tether component TBC1D23. Sci Adv, 10, 2024
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8QZF
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![BU of 8qzf by Molmil](/molmil-images/mine/8qzf) | Heme-domain BM3 mutant T268E | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C. | Deposit date: | 2023-10-27 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3) Mol Catal, 557, 2024
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8T64
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![BU of 8t64 by Molmil](/molmil-images/mine/8t64) | Apo Cam1(42-206) | Descriptor: | Cam1 | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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8T66
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![BU of 8t66 by Molmil](/molmil-images/mine/8t66) | cA6 bound Cam1 | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*AP*A)-3') | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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8T65
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![BU of 8t65 by Molmil](/molmil-images/mine/8t65) | cA4 bound Cam1 | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*A)-3') | Authors: | Yu, Y, Patel, D.J. | Deposit date: | 2023-06-15 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence. Nature, 625, 2024
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