3STW
 
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3SZO
 | | IspH:HMBPP complex after 3 minutes X-ray pre-exposure | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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3RZC
 | | Structure of the self-antigen iGb3 bound to mouse CD1d and in complex with the iNKT TCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | | Authors: | Yu, E.D, Girardi, E, Wang, J, Zajonc, D.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-08-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cutting Edge: Structural Basis for the Recognition of {beta}-Linked Glycolipid Antigens by Invariant NKT Cells.
J.Immunol., 187, 2011
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3S1E
 | | Pro427Gln mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2011-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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8J3Z
 | | Cryo-EM structure of ATP-U46619-bound ABCC4 | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ... | | Authors: | Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q. | | Deposit date: | 2023-04-18 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
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3SCM
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3T4J
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3SP6
 | | Structural basis for iloprost as a dual PPARalpha/delta agonist | | Descriptor: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta | | Authors: | Rong, H, Li, Y. | | Deposit date: | 2011-07-01 | | Release date: | 2011-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
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8JJO
 | | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562 | | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | Deposit date: | 2023-05-31 | | Release date: | 2023-09-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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3T0W
 | | Fluorogen activating protein M8VL in complex with dimethylindole red | | Descriptor: | 1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, ... | | Authors: | Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P. | | Deposit date: | 2011-07-20 | | Release date: | 2012-03-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red.
Biochemistry, 51, 2012
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3T4Q
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3SDX
 | | Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide | | Descriptor: | Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide, ... | | Authors: | Clarke, A.J, Patel, O, Rossjohn, J. | | Deposit date: | 2011-06-09 | | Release date: | 2011-10-05 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors
Nat.Immunol., 12, 2011
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3SMQ
 | | Crystal structure of protein arginine methyltransferase 3 | | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | | Authors: | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
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8JHQ
 | | Cryo-EM structure of human S1P transporter SPNS2 bound with S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase | | Authors: | Pang, B, Yu, L.Y, Ren, R.B. | | Deposit date: | 2023-05-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
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8IWK
 | | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state
To Be Published
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8IZ9
 | | cryo-EM structure of PGE1-bound hMRP4 | | Descriptor: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, ATP-binding cassette sub-family C member 4 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-04-06 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | cryo-EM structure of PGE1-bound hMRP4
To Be Published
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3T0F
 | | IspH:HMBPP (substrate) structure of the E126D mutant | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-20 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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3T0G
 | | IspH:HMBPP (substrate) structure of the T167C mutant | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-20 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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3T4L
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8JYE
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JY9
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophylin 3, SULFATE ION | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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3VEH
 | | Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT | | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-01-08 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
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3VRI
 | | HLA-B*57:01-RVAQLENVYI in complex with abacavir | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
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3SRB
 | | Structure of Pseudomonas aeruginosa PvdQ bound to SMER28 | | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine, Acyl-homoserine lactone acylase pvdQ, ... | | Authors: | Gulick, A.M, Drake, E.J. | | Deposit date: | 2011-07-07 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
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8OI3
 | | Structure of NopD with AtSUMO2 | | Descriptor: | Small ubiquitin-related modifier 2, Type III effector, prop-2-en-1-amine | | Authors: | Reverter, D, Li, Y. | | Deposit date: | 2023-03-22 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of NopD with AtSUMO2
To Be Published
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