2FD0
| HIV-1 DIS kissing-loop in complex with lividomycin | Descriptor: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, CHLORIDE ION, HIV-1 DIS RNA, ... | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | Deposit date: | 2005-12-13 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell. Nucleic Acids Res., 34, 2006
|
|
7G8L
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1251207602 | Descriptor: | 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8N
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981 | Descriptor: | 1-anilinocyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8T
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142 | Descriptor: | 2-ethoxy-3-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.385 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8O
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1267800292 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-1H-indole-7-carboxamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8W
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393 | Descriptor: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G92
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172 | Descriptor: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8Z
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1493056027 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G95
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-4-sulfamoylbenzamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G8Q
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427 | Descriptor: | 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
6YCE
| Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ... | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | Deposit date: | 2020-03-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
|
|
7G8M
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(1H-indol-7-yl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
1HZG
| CRYSTAL STRUCTURE OF THE INACTIVE C866S MUTANT OF THE CATALYTIC DOMAIN OF E. COLI CYTOTOXIC NECROTIZING FACTOR 1 | Descriptor: | CYTOTOXIC NECROTIZING FACTOR 1, PHOSPHATE ION | Authors: | Buetow, L, Flatau, G, Chiu, K, Boquet, P, Ghosh, P. | Deposit date: | 2001-01-24 | Release date: | 2001-07-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of the Rho-activating domain of Escherichia coli cytotoxic necrotizing factor 1. Nat.Struct.Biol., 8, 2001
|
|
7G8V
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z133716556 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G9C
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[2-(methanesulfonyl)phenyl]acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
1ONF
| Crystal structure of Plasmodium falciparum Glutathione reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase | Authors: | Sarma, G.N, Savvides, S.N, Becker, K, Schirmer, M, Schirmer, R.H, Karplus, P.A. | Deposit date: | 2003-02-27 | Release date: | 2003-05-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Glutathione reductase of the malarial parasite Plasmodium falciparum: Crystal structure and inhibitor development J.Mol.Biol., 328, 2003
|
|
7G9D
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102179-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.659 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
1HZS
| Crystal structure of a peptide nucleic acid duplex (BT-PNA) containing a bicyclic analogue of thymine | Descriptor: | PEPTIDE NUCLEIC ACID | Authors: | Eldrup, A.B, Nielsen, B.B, Haaima, G, Rasmussen, H, Kastrup, J.S, Christensen, C, Nielsen, P.E. | Deposit date: | 2001-01-26 | Release date: | 2001-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 1,8-Naphthyridin-2(1H)-ones. Novel Bicyclic and Tricyclic Analogues of Thymine in Peptide Nucleic Acids (PNAs) Eur.J.Org.Chem., 9, 2001
|
|
1VTD
| UNUSUAL HELICAL PACKING IN CRYSTALS OF DNA BEARING A MUTATION HOT SPOT | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*GP*CP*GP*CP*CP*GP*GP*T)-3') | Authors: | Timsit, Y, Westhof, E, Fuchs, R.P.P, Moras, D. | Deposit date: | 1996-12-12 | Release date: | 2011-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unusual helical packing in crystals of DNA bearing a mutation hot spot. Nature, 341, 1989
|
|
7G9G
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102236-001 | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(2-methoxyphenyl)acetamide, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
5ZHL
| Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | Descriptor: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
|
|
7SIC
| Human ATM Dimer | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM | Authors: | Warren, C, Pavletich, N.P. | Deposit date: | 2021-10-13 | Release date: | 2022-02-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structure of the human ATM kinase and mechanism of Nbs1 binding. Elife, 11, 2022
|
|
1ADV
| EARLY E2A DNA-BINDING PROTEIN | Descriptor: | ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION | Authors: | Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A. | Deposit date: | 1995-05-12 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein. J.Mol.Biol., 257, 1996
|
|
7G82
| ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010 | Descriptor: | 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-06-22 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
4MOT
| Structure of Streptococcus pneumonia pare in complex with AZ13072886 | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | Authors: | Ogg, D, Boriack-Sjodin, P.A. | Deposit date: | 2013-09-12 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
|
|