5HRW
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![BU of 5hrw by Molmil](/molmil-images/mine/5hrw) | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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7ACK
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![BU of 7ack by Molmil](/molmil-images/mine/7ack) | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | Descriptor: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | Authors: | Skerlova, J, Pachl, P, Rezacova, P. | Deposit date: | 2020-09-11 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Eur.J.Med.Chem., 216, 2021
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5EDH
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![BU of 5edh by Molmil](/molmil-images/mine/5edh) | human PDE10A, 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, 2.03A, H3, Rfree=22.7% | Descriptor: | 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Rudolph, M.G. | Deposit date: | 2015-10-21 | Release date: | 2016-03-09 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5HIC
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![BU of 5hic by Molmil](/molmil-images/mine/5hic) | EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor | Descriptor: | Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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6DGC
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![BU of 6dgc by Molmil](/molmil-images/mine/6dgc) | Crystal structure of the C-terminal catalytic domain of ISC1926 TnpA, an IS607-like serine recombinase | Descriptor: | ISC1926 TnpA C-terminal catalytic domain | Authors: | Hancock, S.P, Kumar, P, Cascio, D, Johnson, R.C. | Deposit date: | 2018-05-17 | Release date: | 2018-07-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Multiple serine transposase dimers assemble the transposon-end synaptic complex during IS607-family transposition. Elife, 7, 2018
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5HRX
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![BU of 5hrx by Molmil](/molmil-images/mine/5hrx) | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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2VBN
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![BU of 2vbn by Molmil](/molmil-images/mine/2vbn) | Molecular basis of human XPC gene recognition and cleavage by engineered homing endonuclease heterodimers | Descriptor: | 5'-D(*AP*AP*AP*AP*GP*GP*CP*AP*GP*AP)-3', 5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*AP*AP)-3', 5'-D(*TP*CP*TP*GP*CP*CP*TP*TP*TP*TP *TP*TP*GP*AP)-3', ... | Authors: | Redondo, P, Prieto, J, Munoz, I.G, Alibes, A, Stricher, F, Serrano, L, Arnould, S, Perez, C, Cabaniols, J.P, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G. | Deposit date: | 2007-09-14 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of Xeroderma Pigmentosum Group C DNA Recognition by Engineered Meganucleases Nature, 456, 2008
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6I4A
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![BU of 6i4a by Molmil](/molmil-images/mine/6i4a) | Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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6I48
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![BU of 6i48 by Molmil](/molmil-images/mine/6i48) | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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1R4C
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![BU of 1r4c by Molmil](/molmil-images/mine/1r4c) | |
1NCY
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![BU of 1ncy by Molmil](/molmil-images/mine/1ncy) | TROPONIN-C, COMPLEX WITH MANGANESE | Descriptor: | MANGANESE (II) ION, SULFATE ION, TROPONIN C | Authors: | Sundaralingam, M, Rao, S.T. | Deposit date: | 1996-06-02 | Release date: | 1997-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structures of Mn, Cd and Tb metal complexes of troponin C. Acta Crystallogr.,Sect.D, 52, 1996
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7A36
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![BU of 7a36 by Molmil](/molmil-images/mine/7a36) | |
7ZJY
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![BU of 7zjy by Molmil](/molmil-images/mine/7zjy) | The NMR structure of the MAX67 effector from Magnaporthe Oryzae | Descriptor: | MAX effector protein | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | SOLUTION NMR | Cite: | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae. Biomol.Nmr Assign., 16, 2022
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5BQA
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![BU of 5bqa by Molmil](/molmil-images/mine/5bqa) | |
7A32
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![BU of 7a32 by Molmil](/molmil-images/mine/7a32) | |
7ZK0
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![BU of 7zk0 by Molmil](/molmil-images/mine/7zk0) | The NMR structure of the MAX60 effector from Magnaporthe Oryzae | Descriptor: | MAX effector protein | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | SOLUTION NMR | Cite: | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae. Biomol.Nmr Assign., 16, 2022
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2X8A
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![BU of 2x8a by Molmil](/molmil-images/mine/2x8a) | Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain | Descriptor: | NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION | Authors: | Moche, M, Schuetz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H. | Deposit date: | 2010-03-08 | Release date: | 2010-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain To be Published
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7ZKD
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![BU of 7zkd by Molmil](/molmil-images/mine/7zkd) | The NMR structure of the MAX47 effector from Magnaporthe Oryzae | Descriptor: | MAX effector protein | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | SOLUTION NMR | Cite: | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae. Biomol.Nmr Assign., 16, 2022
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7A37
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![BU of 7a37 by Molmil](/molmil-images/mine/7a37) | |
7A33
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![BU of 7a33 by Molmil](/molmil-images/mine/7a33) | |
3IHO
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![BU of 3iho by Molmil](/molmil-images/mine/3iho) | The C-terminal glycosylase domain of human MBD4 | Descriptor: | Methyl-CpG-binding domain protein 4 | Authors: | Amaya, M.F, Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-30 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The C-terminal glycosylase domain of human MBD4 To be Published
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6BBX
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![BU of 6bbx by Molmil](/molmil-images/mine/6bbx) | Crystal structure of TnmS3 in complex with TNM C | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-10-19 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration. Cell Chem Biol, 25, 2018
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5B6O
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![BU of 5b6o by Molmil](/molmil-images/mine/5b6o) | Crystal structure of MS8104 | Descriptor: | 3C-like proteinase | Authors: | Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2016-05-31 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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1FT6
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![BU of 1ft6 by Molmil](/molmil-images/mine/1ft6) | REDUCED STATE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA | Descriptor: | CYTOCHROME C554, DITHIONITE, HEME C, ... | Authors: | Iverson, T.M, Arciero, D.M, Hooper, A.B, Rees, D.C. | Deposit date: | 2000-09-11 | Release date: | 2000-09-20 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of the oxidized and reduced states of cytochrome c554 from Nitrosomonas europaea. J.Biol.Inorg.Chem., 6, 2001
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6T6I
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![BU of 6t6i by Molmil](/molmil-images/mine/6t6i) | |