4LYU
| Fifteen minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-31 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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4LZB
| Uracil binding pocket in Vaccinia virus uracil DNA glycosylase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schormann, N, Chattopadhyay, D. | Deposit date: | 2013-07-31 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of the uracil complex of Vaccinia virus uracil DNA glycosylase. Acta Crystallogr.,Sect.F, 69, 2013
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4M33
| Crystal structure of gated-pore mutant H141D of second DNA-Binding protein under starvation from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | Deposit date: | 2013-08-06 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis J.Biol.Chem., 289, 2014
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4M5O
| 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2013-08-08 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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8U4K
| Structure of the HER2/HER4/BTC Heterodimer Extracellular Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betacellulin, ... | Authors: | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | Deposit date: | 2023-09-10 | Release date: | 2024-03-13 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural dynamics of the active HER4 and HER2/HER4 complexes is finely tuned by different growth factors and glycosylation. Elife, 12, 2024
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5EQR
| Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-13 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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4MEJ
| Crystal structure of Lactobacillus helveticus purine deoxyribosyl transferase (PDT) with the tricyclic purine 8,9-dihydro-9-oxoimidazo[2,1-b]purine (N2,3-ethenoguanine) | Descriptor: | 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION | Authors: | Paul, D, Seckute, J, Ealick, S.E. | Deposit date: | 2013-08-26 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Glycosylation of a tricyclic purine analog at alternative
sites by nucleoside 2 -deoxyribosyltransferases Plos One, 2014
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4LYX
| five minutes iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-31 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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8TXA
| Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum To Be Published
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4M5G
| The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M5N
| The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-amino-1,9-dihydro-2H-purine-2-thione, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | Deposit date: | 2013-08-08 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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8TVB
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8TVI
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8TVH
| Langya henipavirus postfusion F protein in complex with 4G5 Fab, local refinement of the viral membrane proximal region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4G5 heavy chain, 4G5 light chain, ... | Authors: | Wang, Z, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-08-18 | Release date: | 2024-05-08 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and design of Langya virus glycoprotein antigens. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U3A
| TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 1 (monomer) | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-07 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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8U4D
| TRPV1 in nanodisc bound with PI-Br4, consensus structure | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-10 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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4LPJ
| One minute iron loaded frog M ferritin | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | Deposit date: | 2013-07-16 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites. Acta Crystallogr.,Sect.D, 71, 2015
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8U3J
| TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-07 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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8U30
| TRPV1 in nanodisc bound with diC8-PIP2 in the closed state | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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8U3C
| TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer) | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-07 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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4LSJ
| Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide | Descriptor: | D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide | Authors: | Carson, M, Luz, J.G, Clawson, D, Coghlan, M. | Deposit date: | 2013-07-22 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design. J.Med.Chem., 57, 2014
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8TVG
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8U43
| TRPV1 in nanodisc bound with PIP2-Br4 | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, SODIUM ION, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-08 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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8U2Z
| TRPV1 in nanodisc bound with diC8-PIP2 in the dilated state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, SODIUM ION, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-05-08 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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5ESB
| Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir | Descriptor: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-16 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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