8C5S
 
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 7-mer RNA, pppGpGpUpApApApU (IC7) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2023-01-10 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
|
|
7NY0
 | |
2KPO
 | | Solution NMR structure of de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16 | | Descriptor: | rossmann 2x2 fold protein | | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Hamilton, K, Ciccosanti, C, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-17 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
To be Published
|
|
8Q63
 | | Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2023-08-10 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
|
|
6EGL
 | |
4D8H
 | | Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein | | Authors: | Blaber, M, Longo, L. | | Deposit date: | 2012-01-10 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4DRT
 | | Three dimensional structure of de novo designed serine hydrolase OSH26, Northeast Structural Genomics Consortium (NESG) target OR89 | | Descriptor: | CHLORIDE ION, SODIUM ION, de novo designed serine hydrolase, ... | | Authors: | Kuzin, A, Su, M, Rajagopalan, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
|
|
3LJM
 | | Structure of de novo designed apo peptide coil SER L9C | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, COIL SER L9C, ... | | Authors: | Chakraborty, S. | | Deposit date: | 2010-01-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural comparisons of apo- and metalated three-stranded coiled coils clarify metal binding determinants in thiolate containing designed peptides.
J.Am.Chem.Soc., 132, 2010
|
|
4C5D
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (42) | | Descriptor: | (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
|
|
4C52
 | | Crystal structure of Bcl-xL in complex with benzoylurea compound (39b) | | Descriptor: | (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2013-09-10 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
|
|
1OBG
 | | SAICAR-synthase complexed with ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHORIBOSYLAMIDOIMIDAZOLE- SUCCINOCARBOXAMIDE SYNTHASE, ... | | Authors: | Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Urusova, D.V, Melik-Adamyan, W.R, Lamzin, V.S, Wilson, K. | | Deposit date: | 2003-01-30 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-Ray Structure of Saicar-Synthase Complexed with ATP
Kristallografiya, 46, 2001
|
|
1OBD
 | | SAICAR-synthase complexed with ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Urusova, D.V, Melik-Adamyan, W.R, Lamzin, V.S, Wilson, K. | | Deposit date: | 2003-01-30 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-Ray Structure of Saicar-Synthase Complexed with ATP
Kristallografiya, 46, 2001
|
|
4R80
 | | Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486 | | Descriptor: | OR486 | | Authors: | Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-08-29 | | Release date: | 2014-09-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.445 Å) | | Cite: | Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486
To be Published
|
|
2LSE
 | | Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188 | | Descriptor: | Four Helix Bundle Protein | | Authors: | Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-28 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
|
|
6GFW
 | | Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme initial transcribing complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Glyde, R, Ye, F.Z, Zhang, X.D. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation.
Mol. Cell, 70, 2018
|
|
1D3G
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG | | Descriptor: | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. | | Deposit date: | 1999-09-29 | | Release date: | 2000-09-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
|
|
1D3H
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 | | Descriptor: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ... | | Authors: | Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. | | Deposit date: | 1999-09-29 | | Release date: | 2000-08-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents.
Structure Fold.Des., 8, 2000
|
|
6TMS
 | | Crystal structure of a de novo designed hexameric helical-bundle protein | | Descriptor: | SULFATE ION, a novel designed pore protein, affinity purification tag | | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Computational design of transmembrane pores.
Nature, 585, 2020
|
|
6M6Z
 | | A de novo designed transmembrane nanopore, TMH4C4 | | Descriptor: | TMH4C4 | | Authors: | Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. | | Deposit date: | 2020-03-16 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Computational design of transmembrane pores.
Nature, 585, 2020
|
|
7N1J
 | |
7WCQ
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 1 | | Descriptor: | (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
|
|
7WBS
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 2 | | Descriptor: | (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
|
|
7Y3N
 | | Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ... | | Authors: | Rao, X, Chai, Y, Wu, Y, Gao, F. | | Deposit date: | 2022-06-11 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7Y3O
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ... | | Authors: | Rao, X, Gao, F, Wu, Y, Gao, F. | | Deposit date: | 2022-06-11 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
1QP6
 | | SOLUTION STRUCTURE OF ALPHA2D | | Descriptor: | PROTEIN (ALPHA2D) | | Authors: | Hill, R.B, DeGrado, W.F. | | Deposit date: | 1999-06-01 | | Release date: | 1999-06-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
|
|
