1XJS
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![BU of 1xjs by Molmil](/molmil-images/mine/1xjs) | Solution structure of Iron-Sulfur cluster assembly protein IscU from Bacillus subtilis, with Zinc bound at the active site. Northeast Structural Genomics Consortium Target SR17 | Descriptor: | NifU-like protein, ZINC ION | Authors: | Kornhaber, G.J, Swapna, G.V.T, Ramelot, T.A, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-24 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Iron-Sulfur cluster assembly protein IscU
from Bacillus subtilis, with Zinc bound at the active site.
Northeast Structural Genomics Consortium Target SR17. To be Published
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8UVL
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![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | Deposit date: | 2023-11-03 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 67, 2024
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8WB4
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![BU of 8wb4 by Molmil](/molmil-images/mine/8wb4) | Structure of PSII-ACPII supercomplex from cryptophyte algae | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | Authors: | Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y. | Deposit date: | 2023-09-08 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea. Nat Commun, 15, 2024
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1Y7Q
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![BU of 1y7q by Molmil](/molmil-images/mine/1y7q) | Mammalian SCAN domain dimer is a domain-swapped homologue of the HIV capsid C-terminal domain | Descriptor: | Zinc finger protein 174 | Authors: | Ivanov, D, Stone, J.R, Maki, J.L, Collins, T, Wagner, G. | Deposit date: | 2004-12-09 | Release date: | 2005-01-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mammalian SCAN Domain Dimer Is a Domain-Swapped Homolog of the HIV Capsid C-Terminal Domain Mol.Cell, 17, 2005
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6JLO
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![BU of 6jlo by Molmil](/molmil-images/mine/6jlo) | XFEL structure of cyanobacterial photosystem II (2F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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1YQZ
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![BU of 1yqz by Molmil](/molmil-images/mine/1yqz) | Structure of Coenzyme A-Disulfide Reductase from Staphylococcus aureus refined at 1.54 Angstrom resolution | Descriptor: | CHLORIDE ION, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mallett, T.C, Wallen, J.R, Sakai, H, Luba, J, Parsonage, D, Karplus, P.A, Tsukihara, T, Claiborne, A. | Deposit date: | 2005-02-02 | Release date: | 2006-05-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure of coenzyme A-disulfide reductase from Staphylococcus aureus at 1.54 A resolution. Biochemistry, 45, 2006
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1NLS
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![BU of 1nls by Molmil](/molmil-images/mine/1nls) | CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | Deposit date: | 1997-01-28 | Release date: | 1997-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
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1ZC3
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![BU of 1zc3 by Molmil](/molmil-images/mine/1zc3) | Crystal structure of the Ral-binding domain of Exo84 in complex with the active RalA | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-A, ... | Authors: | Jin, R, Junutula, J.R, Matern, H.T, Ervin, K.E, Scheller, R.H, Brunger, A.T. | Deposit date: | 2005-04-10 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase. Embo J., 24, 2005
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1ZJF
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![BU of 1zjf by Molmil](/molmil-images/mine/1zjf) | 12mer-spd-P4N | Descriptor: | 5'-D(*AP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*T)-3', 5'-D(*TP*AP*GP*CP*CP*CP*CP*GP*CP*CP*CP*C)-3' | Authors: | Dohm, J.A, Hsu, M.H, Hwu, J.R, Huang, R.C, Moudrianakis, E.N, Lattman, E.E, Gittis, A.G. | Deposit date: | 2005-04-28 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Influence of Ions, Hydration, and the Transcriptional Inhibitor P4N on the Conformations of the Sp1 Binding Site. J.Mol.Biol., 349, 2005
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6H9Z
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![BU of 6h9z by Molmil](/molmil-images/mine/6h9z) | Molecular bases of histo-blood group antigen recognition by the most common human rotavirus | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Outer capsid protein VP4, SULFATE ION | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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6JLL
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![BU of 6jll by Molmil](/molmil-images/mine/6jll) | XFEL structure of cyanobacterial photosystem II (2F state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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1XPN
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![BU of 1xpn by Molmil](/molmil-images/mine/1xpn) | NMR structure of P. aeruginosa protein PA1324: Northeast Structural Genomics Consortium target PaP1 | Descriptor: | hypothetical protein PA1324 | Authors: | Cort, J.R, Ni, S, Lockert, E.E, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-08 | Release date: | 2004-11-23 | Last modified: | 2024-03-06 | Method: | SOLUTION NMR | Cite: | Structure and function of Pseudomonas aeruginosa protein PA1324 (21-170). Protein Sci., 18, 2009
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1XSV
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![BU of 1xsv by Molmil](/molmil-images/mine/1xsv) | X-ray crystal structure of conserved hypothetical UPF0122 protein SAV1236 from Staphylococcus aureus subsp. aureus Mu50 | Descriptor: | Hypothetical UPF0122 protein SAV1236 | Authors: | Walker, J.R, Xu, X, Virag, C, McDonald, M.-L, Houston, S, Buzadzija, K, Vedadi, M, Dharamsi, A, Fiebig, K.M, Savchenko, A. | Deposit date: | 2004-10-20 | Release date: | 2004-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.7 Angstrom Crystal Structure of Conserved Hypothetical UPF0122 Protein SAV1236 From Staphylococcus aureus To be Published
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6H2J
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![BU of 6h2j by Molmil](/molmil-images/mine/6h2j) | |
1Y6L
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![BU of 1y6l by Molmil](/molmil-images/mine/1y6l) | Human ubiquitin conjugating enzyme E2E2 | Descriptor: | Ubiquitin-conjugating enzyme E2E2 | Authors: | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-06 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1Y28
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![BU of 1y28 by Molmil](/molmil-images/mine/1y28) | Crystal structure of the R220A metBJFIXL HEME domain | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL | Authors: | Dunham, C.M, Dioum, E.M, Tuckerman, J.R, Gonzalez, G, Scott, W.G, Gilles-Gonzalez, M.A. | Deposit date: | 2004-11-21 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A distal arginine in the oxygen-sensing heme-PAS domains is essential to ligand binding, signal transduction, and structure Biochemistry, 42, 2003
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6H9W
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![BU of 6h9w by Molmil](/molmil-images/mine/6h9w) | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | Descriptor: | CITRIC ACID, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ... | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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6HA0
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![BU of 6ha0 by Molmil](/molmil-images/mine/6ha0) | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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1ZG2
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![BU of 1zg2 by Molmil](/molmil-images/mine/1zg2) | Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. | Descriptor: | Hypothetical UPF0213 protein BH0048 | Authors: | Aramini, J.M, Swapna, G.V.T, Xiao, R, Ma, L, Shastry, R, Ciano, M, Acton, T.B, Liu, J, Rost, B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-04-20 | Release date: | 2005-06-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2. To be Published
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6HEB
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![BU of 6heb by Molmil](/molmil-images/mine/6heb) | Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern). | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
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6HFC
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![BU of 6hfc by Molmil](/molmil-images/mine/6hfc) | Influenza A Virus N9 Neuraminidase Native (Tern). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-21 | Release date: | 2018-08-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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6HFY
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![BU of 6hfy by Molmil](/molmil-images/mine/6hfy) | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-22 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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6HG5
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![BU of 6hg5 by Molmil](/molmil-images/mine/6hg5) | Influenza A virus N6 neuraminidase complex with Oseltamivir (Duck/England/56). | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-22 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
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6KMX
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![BU of 6kmx by Molmil](/molmil-images/mine/6kmx) | Structure of PSI from H. hongdechloris grown under far-red light condition | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-08-01 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Structural basis for the adaptation and function of chlorophyll f in photosystem I. Nat Commun, 11, 2020
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6K33
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![BU of 6k33 by Molmil](/molmil-images/mine/6k33) | Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N. | Deposit date: | 2019-05-16 | Release date: | 2020-05-20 | Last modified: | 2020-05-27 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins. Commun Biol, 3, 2020
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