5EHY
 
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
|
|
5EI8
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
|
|
5H5N
 | |
4TGL
 | | CATALYSIS AT THE INTERFACE: THE ANATOMY OF A CONFORMATIONAL CHANGE IN A TRIGLYCERIDE LIPASE | | Descriptor: | DIETHYL PHOSPHONATE, TRIACYL-GLYCEROL ACYLHYDROLASE | | Authors: | Derewenda, U, Brzozowski, A.M, Lawson, D, Derewenda, Z.S. | | Deposit date: | 1991-07-29 | | Release date: | 1993-07-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalysis at the interface: the anatomy of a conformational change in a triglyceride lipase.
Biochemistry, 31, 1992
|
|
8A1V
 | | Sodium pumping NADH-quinone oxidoreductase with substrate Q2 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8A1W
 | | Sodium pumping NADH-quinone oxidoreductase with substrate Q1 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8A1T
 | | Sodium pumping NADH-quinone oxidoreductase | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8A1X
 | | Sodium pumping NADH-quinone oxidoreductase with inhibitor DQA | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8A1Y
 | | Sodium pumping NADH-quinone oxidoreductase with inhibitor HQNO | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8A1U
 | | Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J. | | Deposit date: | 2022-06-02 | | Release date: | 2023-09-20 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7NY8
 | | Affimer K69 - KRAS protein complex | | Descriptor: | Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C. | | Deposit date: | 2021-03-21 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
|
|
8AD3
 | | X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Na(+)-translocating NADH-quinone reductase subunit F | | Authors: | Fritz, G. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8AD4
 | | X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | | Authors: | Fritz, G. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8ACW
 | | X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Fritz, G. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8AD5
 | | X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | | Authors: | Fritz, G. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8ACY
 | | X-ray structure of Na+-NQR from Vibrio cholerae at 3.5 A resolution | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Fritz, G. | | Deposit date: | 2022-07-07 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
|
|
6E5Z
 | |
3PD8
 | | X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution | | Descriptor: | (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ... | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2010-10-22 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
|
|
3PD9
 | | X-ray structure of the ligand-binding core of GluA2 in complex with (R)-5-HPCA at 2.1 A resolution | | Descriptor: | (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2010-10-22 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
|
|
4QF9
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution | | Descriptor: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Kristensen, C.M, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2014-05-20 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
|
|
2P2A
 | | X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution | | Descriptor: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Frydenvang, K, Kastrup, J.S, Gajhede, M. | | Deposit date: | 2007-03-07 | | Release date: | 2007-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
|
|
6PGK
 | | Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I XFEL at 2.9 A | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Fromme, R, Gisriel, C, Fromme, P. | | Deposit date: | 2019-06-24 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
|
|
6UUO
 | | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | | Deposit date: | 2019-10-30 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.288 Å) | | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
|
|
3RFU
 | | Crystal structure of a copper-transporting PIB-type ATPase | | Descriptor: | Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P. | | Deposit date: | 2011-04-07 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of a copper-transporting PIB-type ATPase.
Nature, 475, 2011
|
|
3TZA
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 1.9A resolution | | Descriptor: | (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, Glutamate receptor 2,Glutamate receptor 2, SULFATE ION | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2011-09-27 | | Release date: | 2011-10-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A new phenylalanine derivative acts as an antagonist at the AMPA receptor GluA2 and introduces partial domain closure: synthesis, resolution, pharmacology, and crystal structure
J.Med.Chem., 54, 2011
|
|
