7K3D
 
 | | The structure of NTMT1 in complex with compound DC1-13 | | Descriptor: | N-terminal Xaa-Pro-Lys N-methyltransferase 1, N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Chen, D, Huang, R, Noinaj, N. | | Deposit date: | 2020-09-11 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1.
Acs Med.Chem.Lett., 12, 2021
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6YCL
 | | Crystal structure of GcoA T296G bound to p-vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCK
 | | Crystal structure of GcoA T296A bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCO
 | | Crystal structure of GcoA F169S bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCT
 | | Crystal structure of GcoA F169A_T296S bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-19 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCP
 | | Crystal structure of GcoA F169V bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCN
 | | Crystal structure of GcoA F169A bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCI
 | | Crystal structure of GcoA T296G bound to guaiacol | | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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7QWT
 | | Rieske non-heme iron monooxygenase for guaiacol O-demethylation | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein | | Authors: | Hinchen, D.J, Zahn, M, Bleem, A, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-01-25 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.712 Å) | | Cite: | Discovery, characterization, and metabolic engineering of Rieske non-heme iron monooxygenases for guaiacol O-demethylation
Chem Catal, 2022
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6W47
 | | Peptoid-Containing Collagen Peptide | | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | | Authors: | Chenoweth, D.M, Melton, S.D. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
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6W46
 | | Valine-Containing Collagen Peptide | | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | | Authors: | Chenoweth, D.M, Melton, S.D. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-12 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
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5K86
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6M80
 | | Collagen peptide containing aza-proline and aza-glycine | | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | | Deposit date: | 2018-08-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen.
Chem Sci, 10, 2019
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3OMJ
 | | Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding | | Descriptor: | (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION | | Authors: | Chenoweth, D.M. | | Deposit date: | 2010-08-27 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding.
J.Am.Chem.Soc., 132, 2010
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3I5E
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3I5L
 | | Allosteric Modulation of DNA by Small Molecules | | Descriptor: | (22R,51R)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*CP*AP*GP*GP*(C38)P*CP*TP*GP*G)-3', CALCIUM ION | | Authors: | Chenoweth, D.M, Dervan, P.B. | | Deposit date: | 2009-07-05 | | Release date: | 2009-07-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
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7RAM
 | | Cryo-EM Structure of the HCMV gHgLgO Trimer Derived from AD169 and TR strains in complex with PDGFRalpha | | Descriptor: | Envelope glycoprotein H, Envelope glycoprotein L, Envelope glycoprotein O, ... | | Authors: | Liu, J, Vanarsdall, A.L, Chen, D, Johnson, D.C, Jardetzky, T.S. | | Deposit date: | 2021-07-02 | | Release date: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Cryo-Electron Microscopy Structure and Interactions of the Human Cytomegalovirus gHgLgO Trimer with Platelet-Derived Growth Factor Receptor Alpha.
Mbio, 12, 2021
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3CAU
 | | D7 symmetrized structure of unliganded GroEL at 4.2 Angstrom resolution by cryoEM | | Descriptor: | 60 kDa chaperonin | | Authors: | Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. | | Deposit date: | 2008-02-20 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
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3C9V
 | | C7 Symmetrized Structure of Unliganded GroEL at 4.7 Angstrom Resolution from CryoEM | | Descriptor: | 60 kDa chaperonin | | Authors: | Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. | | Deposit date: | 2008-02-18 | | Release date: | 2008-09-02 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy.
Structure, 16, 2008
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6DTN
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4FQ7
 | | Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16 | | Descriptor: | Maleate cis-trans isomerase | | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
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4FQ5
 | | Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate | | Descriptor: | MALEIC ACID, Maleate cis-trans isomerase | | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
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6WH8
 | | The structure of NTMT1 in complex with compound BM-30 | | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | | Authors: | Noinaj, N, Chen, D, Huang, R. | | Deposit date: | 2020-04-07 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies.
J.Med.Chem., 63, 2020
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5GRJ
 | | Crystal structure of human PD-L1 with monoclonal antibody avelumab | | Descriptor: | Programmed cell death 1 ligand 1, avelumab H chain, avelumab L chain | | Authors: | Liu, K, Tan, S, Chai, Y, Chen, D, Song, H, Zhang, C.W.-H, Shi, Y, Liu, J, Tan, W, Lyu, J, Gao, S, Yan, J, Qi, J, Gao, G.F. | | Deposit date: | 2016-08-11 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.206 Å) | | Cite: | Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy.
Cell Res., 27, 2017
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6XP5
 | | Head-Middle module of Mediator | | Descriptor: | HEAT, Med22, Mediator of RNA polymerase II transcription subunit 1, ... | | Authors: | Zhang, H.Q, Chen, D.C, Kornberg, R.D. | | Deposit date: | 2020-07-08 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Mediator structure and conformation change.
Mol.Cell, 81, 2021
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