3KB8
 
 | | 2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP | | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine phosphoribosyltransferase, ... | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-10-20 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | 2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP
To be Published
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9BGE
 | | Cryo-EM structure of mAb8-24 bound to 426c.WITO.TM.SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.WITO.TM.SOSIP, ... | | Authors: | Hurlburt, N.K, Pancera, M. | | Deposit date: | 2024-04-18 | | Release date: | 2024-09-04 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Short CDRL1 in intermediate VRC01-like mAbs is not sufficient to overcome key glycan barriers on HIV-1 Env.
J.Virol., 98, 2024
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6JSF
 | | Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
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3DN1
 | | Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant | | Descriptor: | 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2008-07-01 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
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6A23
 | | Mandelate oxidase mutant-Y128F with the N5-benzyl-FMN adduct | | Descriptor: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, ... | | Authors: | Li, T.L, Lin, K.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
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6JV4
 | | Crystal structure of metallo-beta-lactamase VMB-1 | | Descriptor: | CITRIC ACID, VMB-1, ZINC ION | | Authors: | Cheng, Q, Chen, S. | | Deposit date: | 2019-04-15 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
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2R3S
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2QB6
 | | Saccharomyces cerevisiae cytosolic exopolyphosphatase, sulfate complex | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Exopolyphosphatase, ... | | Authors: | White, S.A, Ugochukwu, E. | | Deposit date: | 2007-06-16 | | Release date: | 2007-12-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of the cytosolic exopolyphosphatase from Saccharomyces cerevisiae reveals the basis for substrate specificity.
J.Mol.Biol., 371, 2007
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7WSL
 | | PD-1 in complex with Dostarlimab | | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | | Authors: | Heo, Y.S. | | Deposit date: | 2022-01-30 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Molecular basis of PD-1 blockade by dostarlimab, the FDA-approved antibody for cancer immunotherapy.
Biochem.Biophys.Res.Commun., 599, 2022
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1SFF
 | | Structure of gamma-aminobutyrate aminotransferase complex with aminooxyacetate | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | | Deposit date: | 2004-02-19 | | Release date: | 2004-09-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
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4M1D
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6ZZY
 | | Structure of high-light grown Chlorella ohadii photosystem I | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ... | | Authors: | Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-28 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
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5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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5TAS
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 1) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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1U8P
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ECDKWCS | | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2004-08-06 | | Release date: | 2004-10-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications
J.Virol., 83, 2009
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1U92
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide Analog E-[Dap]-DKWQS (cyclic) | | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE ANALOG | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2004-08-09 | | Release date: | 2004-10-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications
J.Virol., 83, 2009
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1U8N
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKFAS | | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2004-08-06 | | Release date: | 2004-10-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications
J.Virol., 83, 2009
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4PZV
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2014-03-31 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
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4Z46
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4Q09
 | | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-04-01 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
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4Z92
 | | crystal structure of parechovirus-1 virion | | Descriptor: | Capsid subunit VP3, RNA (5'-R(*AP*UP*UP*UP*UP*U)-3'), capsid subunit VP0, ... | | Authors: | Kalynych, S, Palkova, L, Plevka, P. | | Deposit date: | 2015-04-09 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Structure of Human Parechovirus 1 Reveals an Association of the RNA Genome with the Capsid.
J.Virol., 90, 2015
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5DU1
 | | Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P21 space group. | | Descriptor: | Mambalgin-1 | | Authors: | Stura, E.A, Tepshi, L, Mourier, G, Kessler, P, Servent, D. | | Deposit date: | 2015-09-18 | | Release date: | 2015-12-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.
J.Biol.Chem., 291, 2016
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1JLV
 | | Anopheles dirus species B glutathione S-transferases 1-3 | | Descriptor: | GLUTATHIONE, glutathione transferase GST1-3 | | Authors: | Oakley, A.J, Harnnoi, T, Udomsinprasert, R, Jirajaroenrat, K, Ketterman, A.J, Wilce, M.C. | | Deposit date: | 2001-07-16 | | Release date: | 2002-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structures of glutathione S-transferases isozymes 1-3 and 1-4 from Anopheles dirus species B.
Protein Sci., 10, 2001
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6ADG
 | | Crystal Structures of IDH1 R132H in complex with AG-881 | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | | Authors: | Ma, R, Yun, C.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
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1JUE
 | | 1.8 A resolution structure of native lactococcus lactis dihydroorotate dehydrogenase A | | Descriptor: | ACETIC ACID, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S. | | Deposit date: | 2001-08-24 | | Release date: | 2003-09-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function
J.Biol.Chem., 278, 2003
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