4QKO
 
 | | The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms | | Descriptor: | BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ... | | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D. | | Deposit date: | 2014-06-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into pyocin S2
To be Published
|
|
4QAY
 | |
1NLM
 | | CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX | | Descriptor: | GLYCEROL, UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | Authors: | Hu, Y, Chen, L, Ha, S, Gross, B, Falcone, B, Walker, D, Mokhtarzadeh, M, Walker, S. | | Deposit date: | 2003-01-07 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of MurG:UDP-GlcNAc complex reveals common structural principles of a superfamily of glycosyltransferases
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
2N0K
 | | Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5 | | Descriptor: | Alpha-crystallin B chain | | Authors: | Rajagopal, P, Klevit, R.E, Shi, L, Baker, D. | | Deposit date: | 2015-03-09 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
|
|
5A6N
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | Deposit date: | 2015-06-30 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
1ZKF
 | |
4RTD
 | | Escherichia coli alpha-2-macroglobulin activated by porcine elastase | | Descriptor: | Uncharacterized lipoprotein YfhM | | Authors: | Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D. | | Deposit date: | 2014-11-14 | | Release date: | 2015-07-15 | | Last modified: | 2015-07-29 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
1ZX1
 | | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 | | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ... | | Authors: | Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-06 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
|
|
1AE7
 | | NOTEXIN, A PRESYNAPTIC NEUROTOXIC PHOSPHOLIPASE A2 | | Descriptor: | PHOSPHOLIPASE A2, SULFATE ION | | Authors: | Westerlund, B, Nordlund, P, Uhlin, U, Eaker, D, Eklund, H. | | Deposit date: | 1997-03-06 | | Release date: | 1997-05-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The three-dimensional structure of notexin, a presynaptic neurotoxic phospholipase A2 at 2.0 A resolution.
FEBS Lett., 301, 1992
|
|
6CPE
 | | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | | Authors: | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
|
|
6DRZ
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6DRX
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6DS0
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.188 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
|
|
1E44
 | | ribonuclease domain of colicin E3 in complex with its immunity protein | | Descriptor: | 1,2-ETHANEDIOL, COLICIN E3, IMMUNITY PROTEIN | | Authors: | Carr, S, Walker, D, James, R, Kleanthous, C, Hemmings, A.M. | | Deposit date: | 2000-06-28 | | Release date: | 2001-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of a Ribosome Inactivating Ribonuclease: The Crystal Structure of the Cytotoxic Domain of Colicin E3 in Complex with its Immunity Protein
Structure, 8, 2000
|
|
4L6R
 | | Structure of the class B human glucagon G protein coupled receptor | | Descriptor: | DI(HYDROXYETHYL)ETHER, Soluble cytochrome b562 and Glucagon receptor chimera | | Authors: | Siu, F.Y, He, M, de Graaf, C, Han, G.W, Yang, D, Zhang, Z, Zhou, C, Xu, Q, Wacker, D, Joseph, J.S, Liu, W, Lau, J, Cherezov, V, Katritch, V, Wang, M.W, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-06-12 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the human glucagon class B G-protein-coupled receptor.
Nature, 499, 2013
|
|
7KUW
 | |
1EUB
 | | SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR | | Descriptor: | 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... | | Authors: | Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y. | | Deposit date: | 2000-04-14 | | Release date: | 2001-04-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
J.Mol.Biol., 301, 2000
|
|
6CMQ
 | | Structure of human SHP2 without N-SH2 domain | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
|
|
6CPF
 | | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation | | Descriptor: | Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Otten, R, Zorba, A, Padua, R.A.P, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
|
|
1FNN
 | | CRYSTAL STRUCTURE OF CDC6P FROM PYROBACULUM AEROPHILUM | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CELL DIVISION CONTROL PROTEIN 6, MAGNESIUM ION | | Authors: | Liu, J, Smith, C.L, DeRyckere, D, DeAngelis, K, Martin, G.S, Berger, J.M. | | Deposit date: | 2000-08-22 | | Release date: | 2000-10-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of Cdc6/Cdc18: implications for origin recognition and checkpoint control.
Mol.Cell, 6, 2000
|
|
3U1V
 | | X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | | Descriptor: | De Novo design cysteine esterase FR29 | | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-09-30 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
|
|
6DRY
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
|
|
1VIP
 | | ANTICOAGULANT CLASS II PHOSPHOLIPASE A2 FROM THE VENOM OF VIPERA RUSSELLI RUSSELLI | | Descriptor: | PHOSPHOLIPASE A2, SULFATE ION | | Authors: | Carredano, E, Westerlund, B, Persson, B, Saarinen, M, Ramaswamy, S, Eaker, D, Eklund, H. | | Deposit date: | 1997-02-27 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The three-dimensional structures of two toxins from snake venom throw light on the anticoagulant and neurotoxic sites of phospholipase A2.
Toxicon, 36, 1998
|
|
4CSV
 | | Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR | | Authors: | Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D. | | Deposit date: | 2014-03-10 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
|
|
7JH5
 | | Co-LOCKR: de novo designed protein switch | | Descriptor: | Co-LOCKR: de novo designed protein switch | | Authors: | Bick, M.J, Lajoie, M.J, Boyken, S.E, Sankaran, B, Baker, D. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Designed protein logic to target cells with precise combinations of surface antigens.
Science, 369, 2020
|
|
