1A19
 
 | | BARSTAR (FREE), C82A MUTANT | | Descriptor: | BARSTAR | | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | | Deposit date: | 1997-12-25 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Discrepancies between the NMR and X-ray structures of uncomplexed barstar: analysis suggests that packing densities of protein structures determined by NMR are unreliable.
Biochemistry, 37, 1998
|
|
5E1C
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
|
|
4OL8
 | | Ty3 reverse transcriptase bound to DNA/RNA | | Descriptor: | 5'-D(*CP*AP*TP*CP*TP*TP*CP*CP*TP*CP*TP*CP*TP*CP*TP*C)-3', 5'-R(*CP*UP*GP*AP*GP*AP*GP*AP*GP*AP*GP*GP*AP*AP*GP*AP*UP*G)-3', Reverse transcriptase/ribonuclease H, ... | | Authors: | Nowak, E, Miller, J.T, Bona, M.K, Studnicka, J, Szczepanowski, R.H, Jurkowski, J, Le Grice, S.F.J, Nowotny, M. | | Deposit date: | 2014-01-23 | | Release date: | 2014-03-05 | | Last modified: | 2014-04-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry.
Nat.Struct.Mol.Biol., 21, 2014
|
|
5H7T
 | |
7UHC
 | |
7UHB
 | |
4OID
 | | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa | | Descriptor: | Probable M18 family aminopeptidase 2 | | Authors: | Nguyen, D.D, Pandian, R, Kim, D.D, Ha, S.C, Yoon, H.J, Kim, K.S, Yun, K.H, Kim, J.H, Kim, K.K. | | Deposit date: | 2014-01-19 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
|
|
5RYG
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z168883358 | | Descriptor: | 1-(1,4-diazepan-1-yl)ethan-1-one, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
|
|
6LFU
 | | Poa1p F152A mutant in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | | Authors: | Chiu, Y.C, Hsu, C.H. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.123 Å) | | Cite: | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
|
|
2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
|
|
1UBN
 | | SELENOSUBTILISIN BPN | | Descriptor: | CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN) | | Authors: | McRee, D.E, McTigue, M, Hilvert, D. | | Deposit date: | 1999-06-02 | | Release date: | 1999-06-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.
Biochemistry, 38, 1999
|
|
4NJR
 | | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa | | Descriptor: | CARBONATE ION, Probable M18 family aminopeptidase 2, ZINC ION | | Authors: | Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
|
|
5RXO
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z68299550 | | Descriptor: | 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
|
|
6LFT
 | | Poa1p S30A mutant in complex with ADP-ribose | | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | | Authors: | Chiu, Y.C, Hsu, C.H. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
|
|
6LFS
 | | Poa1p H23A mutant in complex with ADP-ribose | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase | | Authors: | Chiu, Y.C, Hsu, C.H. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
|
|
5RXQ
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z26548083 | | Descriptor: | DIMETHYL SULFOXIDE, N-(3-cyanophenyl)-2-methylpropanamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
|
|
4LRE
 | | Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate | | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, Phosphopentomutase | | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | Deposit date: | 2013-07-19 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
|
|
5ADO
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
|
|
5AF0
 | | MAEL domain from Bombyx mori Maelstrom | | Descriptor: | MAELSTROM, ZINC ION | | Authors: | Chen, K, Campbell, E, Pandey, R.R, Yang, Z, McCarthy, A.A, Pillai, R.S. | | Deposit date: | 2015-01-13 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Metazoan Maelstrom is an RNA-Binding Protein that Has Evolved from an Ancient Nuclease Active in Protists.
RNA, 21, 2015
|
|
3VS6
 | | Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Tyrosine-protein kinase HCK, ... | | Authors: | Kuratani, M, Honda, K, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S. | | Deposit date: | 2012-04-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.373 Å) | | Cite: | A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
|
|
5EQH
 | | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5BKC
 | | Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate | | Descriptor: | (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7VZB
 | | Cryo-EM structure of C22:0-CoA bound human very long-chain fatty acid ABC transporter ABCD1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Peroxisomal Membrane Protein related,ATP-binding cassette sub-family D member 1, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate | | Authors: | Chen, Z.P, Xu, D, Wang, L, Mao, Y.X, Yang, L, Cheng, M.T, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2021-11-15 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Structural basis of substrate recognition and translocation by human very long-chain fatty acid transporter ABCD1.
Nat Commun, 13, 2022
|
|
7VP9
 | | Crystal structure of human ClpP in complex with ZG111 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-10-15 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
|
|
5BKB
 | | Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
