5LWP
 
 | | Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | | Descriptor: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | | Authors: | Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F. | | Deposit date: | 2016-09-19 | | Release date: | 2016-11-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
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5W7H
 | | Supercharged arPTE variant R5 | | Descriptor: | Phosphotriesterase, ZINC ION | | Authors: | Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J. | | Deposit date: | 2017-06-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
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5LSW
 | | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ... | | Authors: | Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2016-09-05 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin.
Nat Commun, 8, 2017
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6K7T
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1--human beta-2 microglobulin | | Descriptor: | Beta-2-microglobulin, HeV1, MHC class I antigen | | Authors: | Lu, D, Liu, K.F, Zhang, D, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, F.G, Liu, W.J. | | Deposit date: | 2019-06-08 | | Release date: | 2019-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6SNE
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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7B03
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1QQ9
 | | STREPTOMYCES GRISEUS AMINOPEPTIDASE COMPLEXED WITH METHIONINE | | Descriptor: | AMINOPEPTIDASE, CALCIUM ION, METHIONINE, ... | | Authors: | Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G. | | Deposit date: | 1999-06-12 | | Release date: | 2000-05-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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9J1R
 | | Structure of a triple-helix region of human Collagen type II from Trautec | | Descriptor: | SULFATE ION, Triple-helix region of human collagen type II | | Authors: | Fan, X, Chu, Y, Zhai, Y, Fu, S, Li, D, Cao, K, Feng, P, Wang, X, Le, H, Tang, D, Zhang, F, Qian, S. | | Deposit date: | 2024-08-05 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a triple-helix region of human Collagen type II from Trautec
To Be Published
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5IA2
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 | | Descriptor: | 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.619 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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6I0O
 | | Structure of human IMP dehydrogenase, isoform 2, bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, SULFATE ION | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.623 Å) | | Cite: | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
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6I0M
 | | Structure of human IMP dehydrogenase, isoform 2, bound to GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.567 Å) | | Cite: | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
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9FUY
 | | MsbA in UDM inward-facing wide open | | Descriptor: | ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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9FUS
 | | MsbA in LMNG inward-facing wide open | | Descriptor: | ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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6HUP
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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9FV6
 | | MsbA in Amphipol A8-35 inward-facing wide open | | Descriptor: | ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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5X2V
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9FV3
 | | MsbA in MSP2N2 Nanodisc inward-facing narrow open | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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9FUT
 | | MsbA in GDN inward-facing narrow | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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5X2Y
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9FUV
 | | MsbA in Triton inward-facing wide open | | Descriptor: | ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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9FUR
 | | MsbA in LMNG inward-facing narrow | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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9FV9
 | | MsbA in Amphipol 18 inward-facing wide (+) open | | Descriptor: | ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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1HK6
 | | Ral binding domain from Sec5 | | Descriptor: | EXOCYST COMPLEX COMPONENT SEC5 | | Authors: | Mott, H.R, Nietlispach, D, Hopkins, L.J, Mirey, G, Camonis, J.H, Owen, D. | | Deposit date: | 2003-03-05 | | Release date: | 2003-03-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the GTPase-binding domain of Sec5 and elucidation of its Ral binding site.
J. Biol. Chem., 278, 2003
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8R7G
 | | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | | Deposit date: | 2023-11-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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8QZO
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