1YVZ
| Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | Descriptor: | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors. J.Biol.Chem., 280, 2005
|
|
2WEZ
| Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
|
|
7PL9
| |
5KKZ
| Rhodobacter sphaeroides bc1 with famoxadone | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, ASCORBIC ACID, Cytochrome b, ... | Authors: | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | Deposit date: | 2016-06-23 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
|
|
5KNP
| Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | Deposit date: | 2016-06-28 | Release date: | 2017-09-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
|
|
6T3A
| Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2019-10-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
|
|
7PBR
| RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0-A [t2 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
|
|
8C87
| Double mutant A(L172)C/L(L246)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, ... | Authors: | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Yukhimchuk, D. | Deposit date: | 2023-01-19 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
|
|
7PBS
| RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t1 dataset] | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | Deposit date: | 2021-08-02 | Release date: | 2022-09-14 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration. Nature, 609, 2022
|
|
1YXW
| A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin | Descriptor: | GLUTAMIC ACID, TRYPTOPHAN, TYROSINE, ... | Authors: | Jayaraman, S, Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | Deposit date: | 2005-02-22 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin Proteins, 61, 2005
|
|
8A6I
| Structure of the low complexity domain of TDP-43 (fragment 309-350) with methionine sulfoxide modifications | Descriptor: | TAR DNA-binding protein 43 | Authors: | Carrasco, J, Anton, R, Pantoja-Uceda, D, Laurents, D.V, Oroz, J. | Deposit date: | 2022-06-17 | Release date: | 2023-02-08 | Method: | SOLUTION NMR | Cite: | Metamorphism in TDP-43 prion-like domain determines chaperone recognition. Nat Commun, 14, 2023
|
|
8C88
| Double mutant G(M19)C/T(L214)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | Authors: | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Yukhimchuk, D. | Deposit date: | 2023-01-19 | Release date: | 2023-11-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
|
|
8CP6
| |
1Z1R
| HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2 | Descriptor: | 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE, Pol polyprotein, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 2005-03-06 | Release date: | 2005-03-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease Biochemistry, 38, 1999
|
|
5L6Z
| |
2W03
| Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi | Descriptor: | ACSD, ADENOSINE, CITRIC ACID, ... | Authors: | Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H. | Deposit date: | 2008-08-08 | Release date: | 2009-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis Nat.Chem.Biol., 5, 2009
|
|
5L86
| engineered ascorbate peroxidise | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Hayashi, T, Mittl, P, Hilvert, D. | Deposit date: | 2016-06-07 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Chemically Programmed Proximal Ligand Enhances the Catalytic Properties of a Heme Enzyme. J. Am. Chem. Soc., 138, 2016
|
|
1Z3S
| |
6TSP
| Marasmius oreades agglutinin (MOA) inhibited by zinc | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2019-12-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: a protease caught in flagranti Curr Res Struct Biol, 2, 2020
|
|
2VOP
| Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer AUUUU | Descriptor: | 5'-R(*AP*UP*UP*UP*UP)-3', LUPUS LA PROTEIN, SULFATE ION | Authors: | Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S. | Deposit date: | 2008-02-19 | Release date: | 2008-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein. Structure, 16, 2008
|
|
1Z8G
| Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate. | Descriptor: | ACE-LYS-GLN-LEU-ARG-Chloromethylketone, Serine protease hepsin | Authors: | Herter, S, Piper, D.E, Aaron, W, Gabriele, T, Cutler, G, Cao, P, Bhatt, A.S, Choe, Y, Craik, C.S, Walker, N, Meininger, D, Hoey, T, Austin, R.J. | Deposit date: | 2005-03-30 | Release date: | 2005-05-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Hepatocyte growth factor is a preferred in vitro substrate for human hepsin, a membrane-anchored serine protease implicated in prostate and ovarian cancers Biochem.J., 390, 2005
|
|
7ZXD
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-20 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
|
|
5KMS
| |
2VNT
| UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE | Descriptor: | 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F. | Deposit date: | 2008-02-07 | Release date: | 2008-02-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines J.Med.Chem., 50, 2007
|
|
7ZLZ
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-04-17 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
|
|