7S4U
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![BU of 7s4u by Molmil](/molmil-images/mine/7s4u) | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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7S4V
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![BU of 7s4v by Molmil](/molmil-images/mine/7s4v) | Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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7S4X
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![BU of 7s4x by Molmil](/molmil-images/mine/7s4x) | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | Deposit date: | 2021-09-09 | Release date: | 2022-03-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural basis for mismatch surveillance by CRISPR-Cas9. Nature, 603, 2022
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5Y3R
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![BU of 5y3r by Molmil](/molmil-images/mine/5y3r) | Cryo-EM structure of Human DNA-PK Holoenzyme | Descriptor: | DNA (34-MER), DNA (36-MER), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Yin, X, Liu, M, Tian, Y, Wang, J, Xu, Y. | Deposit date: | 2017-07-29 | Release date: | 2017-09-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM structure of human DNA-PK holoenzyme Cell Res., 27, 2017
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7ENQ
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![BU of 7enq by Molmil](/molmil-images/mine/7enq) | Crystal structure of human NAMPT in complex with compound NAT | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204966 Å) | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res., 32, 2022
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4C4F
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![BU of 4c4f by Molmil](/molmil-images/mine/4c4f) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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4C4H
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![BU of 4c4h by Molmil](/molmil-images/mine/4c4h) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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5H02
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![BU of 5h02 by Molmil](/molmil-images/mine/5h02) | Crystal structure of Methanohalophilus portucalensis glycine sarcosine N-methyltransferase tetramutant (H21G, E23T, E24N, L28S) | Descriptor: | Glycine sarcosine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, TRIMETHYL GLYCINE | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-10-02 | Release date: | 2016-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity. Sci Rep, 6, 2016
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5GWX
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![BU of 5gwx by Molmil](/molmil-images/mine/5gwx) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylmethionine and sarcosine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, S-ADENOSYLMETHIONINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-09-14 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity. Sci Rep, 6, 2016
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5HIL
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![BU of 5hil by Molmil](/molmil-images/mine/5hil) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and sarcosine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.471 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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4C4G
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![BU of 4c4g by Molmil](/molmil-images/mine/4c4g) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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4C4I
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![BU of 4c4i by Molmil](/molmil-images/mine/4c4i) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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4C4J
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![BU of 4c4j by Molmil](/molmil-images/mine/4c4j) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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5HIM
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![BU of 5him by Molmil](/molmil-images/mine/5him) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylhomocysteine and dimethylglycine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, N,N-DIMETHYLGLYCINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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4NM6
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![BU of 4nm6 by Molmil](/molmil-images/mine/4nm6) | Crystal structure of TET2-DNA complex | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*T)-3', FE (II) ION, Methylcytosine dioxygenase TET2, ... | Authors: | Hu, L, Li, Z, Cheng, J, Rao, Q, Gong, W, Liu, M, Wang, P, Xu, Y. | Deposit date: | 2013-11-14 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.026 Å) | Cite: | Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation. Cell(Cambridge,Mass.), 155, 2013
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5HIK
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![BU of 5hik by Molmil](/molmil-images/mine/5hik) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylmethionine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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5HIJ
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![BU of 5hij by Molmil](/molmil-images/mine/5hij) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with betaine | Descriptor: | Glycine sarcosine N-methyltransferase, TRIMETHYL GLYCINE | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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5HII
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![BU of 5hii by Molmil](/molmil-images/mine/5hii) | Crystal structure of glycine sarcosine N-methyltransferase (GSMT) from Methanohalophilus portucalensis (apo form) | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-01-12 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity Sci Rep, 6, 2016
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4Q65
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![BU of 4q65 by Molmil](/molmil-images/mine/4q65) | Structure of the E. coli Peptide Transporter YbgH | Descriptor: | Dipeptide permease D | Authors: | Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X. | Deposit date: | 2014-04-21 | Release date: | 2014-08-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal structure of the E. coli peptide transporter YbgH. Structure, 22, 2014
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4C4E
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![BU of 4c4e by Molmil](/molmil-images/mine/4c4e) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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4XQ8
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![BU of 4xq8 by Molmil](/molmil-images/mine/4xq8) | |
5ITQ
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![BU of 5itq by Molmil](/molmil-images/mine/5itq) | Crystal Structure of Human NEIL1, Free Protein | Descriptor: | Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5ITY
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![BU of 5ity by Molmil](/molmil-images/mine/5ity) | Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing Thymine Glycol | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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5ITX
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![BU of 5itx by Molmil](/molmil-images/mine/5itx) | Crystal Structure of Human NEIL1(P2G R242K) bound to duplex DNA containing Thymine Glycol | Descriptor: | DNA (26-MER), Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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2LUH
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![BU of 2luh by Molmil](/molmil-images/mine/2luh) | NMR structure of the Vta1-Vps60 complex | Descriptor: | Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60 | Authors: | Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z. | Deposit date: | 2012-06-13 | Release date: | 2012-11-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway. J.Biol.Chem., 287, 2012
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