7K3D
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![BU of 7k3d by Molmil](/molmil-images/mine/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
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![BU of 6ycl by Molmil](/molmil-images/mine/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
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![BU of 6yck by Molmil](/molmil-images/mine/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
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![BU of 6yco by Molmil](/molmil-images/mine/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
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![BU of 6yct by Molmil](/molmil-images/mine/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
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![BU of 6ycp by Molmil](/molmil-images/mine/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
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![BU of 6ycn by Molmil](/molmil-images/mine/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
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![BU of 6yci by Molmil](/molmil-images/mine/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
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![BU of 7qwt by Molmil](/molmil-images/mine/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
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![BU of 6w47 by Molmil](/molmil-images/mine/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
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![BU of 6w46 by Molmil](/molmil-images/mine/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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![BU of 5k86 by Molmil](/molmil-images/mine/5k86) | |
6M80
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![BU of 6m80 by Molmil](/molmil-images/mine/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
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![BU of 3omj by Molmil](/molmil-images/mine/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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![BU of 3i5e by Molmil](/molmil-images/mine/3i5e) | |
3I5L
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![BU of 3i5l by Molmil](/molmil-images/mine/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
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![BU of 7ram by Molmil](/molmil-images/mine/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
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![BU of 3cau by Molmil](/molmil-images/mine/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
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![BU of 3c9v by Molmil](/molmil-images/mine/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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![BU of 6dtn by Molmil](/molmil-images/mine/6dtn) | |
4FQ7
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![BU of 4fq7 by Molmil](/molmil-images/mine/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
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![BU of 4fq5 by Molmil](/molmil-images/mine/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
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![BU of 6wh8 by Molmil](/molmil-images/mine/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
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![BU of 5grj by Molmil](/molmil-images/mine/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
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![BU of 6xp5 by Molmil](/molmil-images/mine/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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