4AB9
 
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
|
|
7ZB9
 | | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo) | | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, MAGNESIUM ION, ... | | Authors: | Bukhdruker, S, Varaksa, T, Marin, E, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-03-23 | | Release date: | 2023-01-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural insights into the effects of glycerol on ligand binding to cytochrome P450.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
7Z2K
 | | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2022-02-28 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
|
|
3UNA
 | | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with NAD Bound | | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, CARBONATE ION, ... | | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F. | | Deposit date: | 2011-11-15 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase.
J.Am.Chem.Soc., 134, 2012
|
|
4GJB
 | | Crystal structure of renin in complex with NVP-BBV031 (compound 6) | | Descriptor: | (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
|
|
3CSI
 | |
3HKB
 | | Tubulin: RB3 Stathmin-like domain complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HKC
 | | Tubulin-ABT751: RB3 stathmin-like domain complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HKE
 | | Tubulin-T138067: RB3 stathmin-like domain complex | | Descriptor: | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HKD
 | | Tubulin-TN16 : RB3 stathmin-like domain complex | | Descriptor: | (3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dorleans, A, Gigant, B, Ravelli, R.B.G, Mailliet, P, Mikol, V, Knossow, M. | | Deposit date: | 2009-05-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Variations in the colchicine-binding domain provide insight into the structural switch of tubulin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3VKG
 | | X-ray structure of an MTBD truncation mutant of dynein motor domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic, ... | | Authors: | Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G. | | Deposit date: | 2011-11-16 | | Release date: | 2012-03-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
|
|
1RW5
 | |
2DSP
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2DSR
 | | Structural Basis for the Inhibition of Insulin-like Growth Factors by IGF Binding Proteins | | Descriptor: | Insulin-like growth factor IB, Insulin-like growth factor-binding protein 4 | | Authors: | Sitar, T, Popowicz, G.M, Siwanowicz, I, Huber, R, Holak, T.A. | | Deposit date: | 2006-07-05 | | Release date: | 2006-08-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2LZM
 | |
7KJD
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
|
|
7ZG7
 | | Structure of human Apoferritin obtained from ssDNA coated grid | | Descriptor: | Ferritin heavy chain, SODIUM ION, ZINC ION | | Authors: | Hrebik, D, Plevka, P. | | Deposit date: | 2022-04-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (1.77 Å) | | Cite: | Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
7KJF
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate | | Descriptor: | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
|
|
7L6C
 | |
7KL3
 | | The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to RNA oligomer AG*CAUC (*uncleaveable bond, -UC disordered) | | Descriptor: | 5'-O-sulfocytidine, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Cuypers, M.G, Kumar, G, White, S.W. | | Deposit date: | 2020-10-28 | | Release date: | 2021-02-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
|
|
8C8T
 | | cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with bNAbs EPTC112 and 3BNC117 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Baquero, E, Molinos-Albert, L, Mouquet, H. | | Deposit date: | 2023-01-21 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Anti-V1/V3-glycan broadly HIV-1 neutralizing antibodies in a post-treatment controller.
Cell Host Microbe, 31, 2023
|
|
7PIG
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | Deposit date: | 2021-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
|
|
7KJ9
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
|
|
7PIE
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | Deposit date: | 2021-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.427 Å) | | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
|
|
7PIF
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... | | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | Deposit date: | 2021-08-19 | | Release date: | 2022-09-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
|
|
