1XLH
 
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | ALUMINUM ION, D-XYLOSE ISOMERASE | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
|
|
6OY1
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-26 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
1XLA
 | |
2GRM
 | | Crystal structure of PrgX/iCF10 complex | | Descriptor: | PrgX, peptide | | Authors: | Shi, K, Kozlowicz, B.K, Gu, Z.Y, Ohlendorf, D.H, Earhart, C.A, Dunny, G.M. | | Deposit date: | 2006-04-24 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis for control of conjugation by bacterial pheromone and inhibitor peptides.
Mol.Microbiol., 62, 2006
|
|
1XLJ
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | Descriptor: | D-XYLOSE ISOMERASE, MANGANESE (II) ION, Xylitol | | Authors: | Collyer, C.A, Henrick, K, Blow, D.M. | | Deposit date: | 1991-10-09 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
|
|
5T97
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Descriptor: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C.A, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
|
|
4CBY
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | | Authors: | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | Deposit date: | 2013-10-17 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
|
|
6OWG
 | | Structure of a synthetic beta-carboxysome shell, T=4 | | Descriptor: | Ethanolamine utilization protein EutN/carboxysome structural protein Ccml, Microcompartments protein | | Authors: | Sutter, M, Laughlin, T.G, Davies, K.M, Kerfeld, C.A. | | Deposit date: | 2019-05-09 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of a Syntheticbeta-Carboxysome Shell.
Plant Physiol., 181, 2019
|
|
2AWI
 | | Structure of PrgX Y153C mutant | | Descriptor: | PrgX | | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.k, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | | Deposit date: | 2005-09-01 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
6OAK
 | | Structure of human PARG complexed with JA2131 | | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | | Deposit date: | 2019-03-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
|
|
2GO3
 | | Crystal structure of Aquifex aeolicus LpxC complexed with imidazole. | | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2006-04-12 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
|
|
6QUS
 | | HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | | Descriptor: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | Deposit date: | 2019-02-28 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
|
|
2GNX
 | | X-ray structure of a hypothetical protein from Mouse Mm.209172 | | Descriptor: | hypothetical protein | | Authors: | Phillips Jr, G.N, McCoy, J.G, Bitto, E, Wesenberg, G.E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-04-11 | | Release date: | 2006-05-02 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | X-ray structure of a hypothetical protein from Mouse Mm.209172
To be Published
|
|
2H1S
 | |
2AGJ
 | | Crystal Structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Yvo Fab, Heavy Chain, ... | | Authors: | Ramsland, P.A, Terzyan, S.S, Cloud, G, Bourne, C.R, Farrugia, W, Tribbick, G, Geysen, H.M, Moomaw, C.R, Slaughter, C.A, Edmundson, A.B. | | Deposit date: | 2005-07-27 | | Release date: | 2006-05-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody
Biochem.J., 395, 2006
|
|
6OXO
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-91 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
6OXP
 | | HIV-1 Protease NL4-3 WT in Complex with UMass3 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
6OXS
 | | HIV-1 Protease NL4-3 WT in Complex with LR-76 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
6OCO
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
2KUO
 | | Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response | | Descriptor: | Aprataxin and PNK-like factor, ZINC ION | | Authors: | Li, G.Y, McCulloch, R.D, Fenton, A, Cheung, M, Meng, L, Ikura, M, Koch, C.A. | | Deposit date: | 2010-02-23 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and identification of ADP-ribose recognition motifs of aprataxin PNK-like factor (APLF) required for the interaction with sites of DNA damage response
To be Published
|
|
2AW6
 | | Structure of a bacterial peptide pheromone/receptor complex and its mechanism of gene regulation | | Descriptor: | PrgX, peptide | | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | | Deposit date: | 2005-08-31 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1CPT
 | | CRYSTAL STRUCTURE AND REFINEMENT OF CYTOCHROME P450-TERP AT 2.3 ANGSTROMS RESOLUTION | | Descriptor: | CYTOCHROME P450-TERP, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hasemann, C.A, Ravichandran, K.G, Peterson, J.A, Deisenhofer, J. | | Deposit date: | 1993-11-23 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and refinement of cytochrome P450terp at 2.3 A resolution.
J.Mol.Biol., 236, 1994
|
|
2APJ
 | | X-Ray Structure of Protein from Arabidopsis Thaliana AT4G34215 at 1.6 Angstrom Resolution | | Descriptor: | Putative Esterase | | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-08-16 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
6R73
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Softley, C.A, Zak, K, Kolonko, M, Sattler, M, Popowicz, G. | | Deposit date: | 2019-03-28 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
|
|
2B5O
 | | ferredoxin-NADP reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, SULFATE ION | | Authors: | Sawaya, M.R, Kerfeld, C.A, Gomez-Lojero, C, Krogmann, D, Bryant, D.A, Yeates, T.O. | | Deposit date: | 2005-09-29 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Crystal Structure of Ferredoxin-NADP reductase from Synechococcus sp. (PCC 7002)
To be Published
|
|
