7NT6
| CryoEM structure of the Nipah virus nucleocapsid spiral clam-shaped assembly | Descriptor: | Nucleoprotein, RNA (42-MER), RNA (48-MER) | Authors: | Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2021-03-09 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | CryoEM structure of the Nipah virus nucleocapsid assembly. Plos Pathog., 17, 2021
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7NT5
| CryoEM structure of the Nipah virus nucleocapsid single helical turn assembly | Descriptor: | Nucleoprotein, RNA (78-MER) | Authors: | Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A. | Deposit date: | 2021-03-09 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | CryoEM structure of the Nipah virus nucleocapsid assembly. Plos Pathog., 17, 2021
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7EKZ
| Structural and functional insights into Hydra Actinoporin-Like Toxin 1 (HALT-1) | Descriptor: | FORMIC ACID, GLYCEROL, HALT-1 | Authors: | Ker, D.S, Sha, X.H, Jonet, M.A, Hwang, J.S, Ng, C.L. | Deposit date: | 2021-04-07 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural and functional analysis of Hydra Actinoporin-Like Toxin 1 (HALT-1). Sci Rep, 11, 2021
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5WIU
| Structure of the human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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5WIV
| Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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8UH3
| Serotonin 1E receptor (5-HT1eR)-Gi1 Complex bound with Setiptiline | Descriptor: | 5-hydroxytryptamine receptor 1E, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wacker, D, Parpounas, A.K, Warren, A.L, Zilberg, G. | Deposit date: | 2023-10-06 | Release date: | 2024-05-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT 1e R and 5-HT 1F R. Sci Adv, 10, 2024
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5TVN
| Crystal structure of the LSD-bound 5-HT2B receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | Deposit date: | 2016-11-09 | Release date: | 2017-02-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell, 168, 2017
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1DC8
| STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN BACTERIAL SIGNAL TRANSDUCTION | Descriptor: | NITROGEN REGULATION PROTEIN | Authors: | Kern, D, Volkman, B.F, Luginbuhl, P, Nohaile, M.J, Kustu, S, Wemmer, D.E. | Deposit date: | 1999-11-04 | Release date: | 2000-01-05 | Last modified: | 2022-12-21 | Method: | SOLUTION NMR | Cite: | Structure of a transiently phosphorylated switch in bacterial signal transduction. Nature, 402, 1999
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1DC7
| STRUCTURE OF A TRANSIENTLY PHOSPHORYLATED "SWITCH" IN BACTERIAL SIGNAL TRANSDUCTION | Descriptor: | NITROGEN REGULATION PROTEIN | Authors: | Kern, D, Volkman, B.F, Luginbuhl, P, Nohaile, M.J, Kustu, S, Wemmer, D.E. | Deposit date: | 1999-11-04 | Release date: | 2000-01-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a transiently phosphorylated switch in bacterial signal transduction. Nature, 402, 1999
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3UD6
| Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION | Authors: | Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. | Deposit date: | 2011-10-27 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
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4IB4
| Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, C, Katritch, V, Han, G.W, Huang, X, Vardy, E, McCorvy, J.D, Jiang, Y, Chu, M, Siu, F.Y, Liu, W, Xu, H.E, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural features for functional selectivity at serotonin receptors. Science, 340, 2013
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2N5X
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3NY8
| Crystal structure of the human beta2 adrenergic receptor in complex with the inverse agonist ICI 118,551 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, Beta-2 adrenergic receptor, ... | Authors: | Wacker, D, Fenalti, G, Brown, M.A, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-07-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography J.Am.Chem.Soc., 132, 2010
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6O0I
| NMR ensemble of computationally designed protein XAA | Descriptor: | Design construct XAA | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-16 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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6O0C
| NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L | Descriptor: | Design construct XAA_GVDQ mutant M4L | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-15 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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4GMR
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR266. | Descriptor: | NITRATE ION, OR266 DE NOVO PROTEIN | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Mao, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.377 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. NAT.CHEM., 9, 2017
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7LMX
| A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
| SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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4GPM
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR264. | Descriptor: | Engineered Protein OR264 | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-21 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. NAT.CHEM., 9, 2017
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4HB5
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR267. | Descriptor: | Engineered Protein | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-09-27 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. NAT.CHEM., 9, 2017
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6U1S
| Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Computational Design of Transmembrane Channels To Be Published
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3LEX
| 2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 11F10 in complex with HIV-1 GP41 | Descriptor: | 11f10 Antibody Heavy Chain, 11f10 Antibody Light Chain, Envelope glycoprotein gp41 | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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2RGX
| Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | Authors: | Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D. | Deposit date: | 2007-10-05 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intrinsic motions along an enzymatic reaction trajectory. Nature, 450, 2007
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4UEU
| Tyrosine kinase AS - a common ancestor of Src and Abl | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | Authors: | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | Deposit date: | 2014-12-18 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism. Science, 347, 2015
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3VB8
| Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR43 | Descriptor: | Engineered protein, SULFATE ION | Authors: | Seetharaman, J, Su, M, Procko, E, Baker, D, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-31 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Computational design of a protein-based enzyme inhibitor. J.Mol.Biol., 425, 2013
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