7R3B
 
 | | S-adenosylmethionine synthetase from Lactobacillus plantarum complexed with AMPPNP, methionine and SAM | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, PHENYLALANINE, ... | | Authors: | Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. | | Deposit date: | 2022-02-07 | | Release date: | 2022-07-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains.
Protein Sci., 31, 2022
|
|
7R2W
 | | Mutant S-adenosylmethionine synthetase from E.coli complexed with AMPPNP and methionine | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Shahar, A, Kleiner, D, Bershtein, S, Zarivach, R. | | Deposit date: | 2022-02-06 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Evolution of homo-oligomerization of methionine S-adenosyltransferases is replete with structure-function constrains.
Protein Sci., 31, 2022
|
|
6RKA
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Methionine adenosyltransferase, PHOSPHATE ION, ... | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
6RKC
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, Methionine adenosyltransferase, ... | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
6RK7
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | CHLORIDE ION, Methionine adenosyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
6RJS
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | Methionine adenosyltransferase | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-29 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
6RK5
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | Methionine adenosyltransferase | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
|
|
4AP6
 | | Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
|
|
4AP5
 | | Crystal structure of human POFUT2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
|
|
1EA7
 | | Sphericase | | Descriptor: | CALCIUM ION, SERINE PROTEASE | | Authors: | Almog, O, Gonzalez, A, Klein, D, Braun, S, Shoham, G. | | Deposit date: | 2001-07-10 | | Release date: | 2002-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93A Crystal Structure of Sphericase: A Calcium-Loaded Serine Protease from Bacillus Sphaericus
J.Mol.Biol., 332, 2003
|
|
7LUF
 | | HSV1 polymerase ternary complex with dsDNA and PNU-183792 | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | | Authors: | Hayes, R.P, Klein, D. | | Deposit date: | 2021-02-22 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase.
Nat Commun, 12, 2021
|
|
7OCK
 | | MAT in complex with SAMH | | Descriptor: | S-adenosylmethionine synthase, SAM hydrolase | | Authors: | Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S. | | Deposit date: | 2021-04-27 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers.
Mbio, 12, 2021
|
|
5OW0
 | | Crystal structure of an electron transfer flavoprotein from Geobacter metallireducens | | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein, alpha subunit, ... | | Authors: | Essen, L.-O, Vogt, M.S, Heider, J, Koelzer, S, Peschke, P, Chowdhury, N.P, Schuehle, K, Kleinsorge, D. | | Deposit date: | 2017-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional characterization of an electron transfer flavoprotein involved in toluene degradation in strictly anaerobic bacteria.
J.Bacteriol., 2019
|
|
8GK7
 | | MsbA bound to cerastecin C | | Descriptor: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Chen, Y, Klein, D. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
|
|
6X4H
 | | Sortilin-Progranulin Interaction With Compound 24 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
4ZTJ
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
|
|
4ZTF
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | | Authors: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
|
|
5UOP
 | | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 18) | | Descriptor: | (1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, GLYCEROL, INTEGRASE, ... | | Authors: | Klein, D.J. | | Deposit date: | 2017-02-01 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5UOQ
 | | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 31) | | Descriptor: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile, GLYCEROL, INTEGRASE, ... | | Authors: | Klein, D.J. | | Deposit date: | 2017-02-01 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
8FPJ
 | | Co-structure of the Human Metapneunomovirus RNA-dependent RNA polymerase with MRK-1 | | Descriptor: | 4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide, Phosphoprotein, RNA-directed RNA polymerase L | | Authors: | Fischmann, T.O. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Conserved allosteric inhibitory site on the respiratory syncytial virus and human metapneumovirus RNA-dependent RNA polymerases.
Commun Biol, 6, 2023
|
|
8FPI
 | | Co-structure of the Respiratory Syncytial Virus RNA-dependent RNA polymerase with MRK-1 | | Descriptor: | 4-(2-aminopropan-2-yl)-N'-[4-(cyclopropyloxy)-3-methoxybenzoyl]-6-(4-fluorophenyl)pyridine-2-carbohydrazide, Phosphoprotein, RNA-directed RNA polymerase L | | Authors: | Fischmann, T.O. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Conserved allosteric inhibitory site on the respiratory syncytial virus and human metapneumovirus RNA-dependent RNA polymerases.
Commun Biol, 6, 2023
|
|
2IXT
 | | SPHERICASE | | Descriptor: | 36KDA PROTEASE, CALCIUM ION | | Authors: | Almog, O, Gonzalez, A, Godin, N. | | Deposit date: | 2006-07-11 | | Release date: | 2007-08-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | The Crystal Structures of the Psychrophilic Subtilisin S41 and the Mesophilic Subtilisin Sph Reveal the Same Calcium-Loaded State.
Proteins, 74, 2009
|
|
5HJP
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
|
|
5HJS
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
|
|
5L2H
 | | Crystal Structure of W26A mutant of anti-EGFR Centyrin P54AR4-83v2 | | Descriptor: | Centyrin, GLYCEROL | | Authors: | Cardoso, R.M.F, Goldberg, S.D, O Neil, K.T, Gilliland, G.L. | | Deposit date: | 2016-08-01 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8013 Å) | | Cite: | Engineering a targeted delivery platform using Centyrins.
Protein Eng. Des. Sel., 29, 2016
|
|
