3ULB
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3VOQ
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3W15
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![BU of 3w15 by Molmil](/molmil-images/mine/3w15) | Structure of peroxisomal targeting signal 2 (PTS2) of Saccharomyces cerevisiae 3-ketoacyl-CoA thiolase in complex with Pex7p and Pex21p | Descriptor: | 3-ketoacyl-CoA thiolase, peroxisomal, Maltose-binding periplasmic protein, ... | Authors: | Pan, D, Nakatsu, T, Kato, H. | Deposit date: | 2012-11-06 | Release date: | 2013-07-03 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of peroxisomal targeting signal-2 bound to its receptor complex Pex7p-Pex21p Nat.Struct.Mol.Biol., 20, 2013
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3ULC
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7FC9
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![BU of 7fc9 by Molmil](/molmil-images/mine/7fc9) | Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pan, D, Oyama, R, Sato, T, Nakane, T, Mizunuma, R, Matsuoka, K, Joti, Y, Tono, K, Nango, E, Iwata, S, Nakatsu, T, Kato, H. | Deposit date: | 2021-07-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX. Iucrj, 9, 2022
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6EUM
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![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6EWE
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![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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4IWQ
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![BU of 4iwq by Molmil](/molmil-images/mine/4iwq) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IWO
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![BU of 4iwo by Molmil](/molmil-images/mine/4iwo) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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4IWP
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![BU of 4iwp by Molmil](/molmil-images/mine/4iwp) | Crystal structure and mechanism of activation of TBK1 | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Larabi, A. | Deposit date: | 2013-01-24 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.065 Å) | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1. Cell Rep, 3, 2013
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2O6G
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6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RSR
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![BU of 6rsr by Molmil](/molmil-images/mine/6rsr) | TBK1 in complex with compound 2 | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RST
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![BU of 6rst by Molmil](/molmil-images/mine/6rst) | TBK1 in complex with inhibitor compound 24 | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6QPW
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![BU of 6qpw by Molmil](/molmil-images/mine/6qpw) | Structural basis of cohesin ring opening | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sister chromatid cohesion protein 1, ... | Authors: | Panne, D, Muir, K.W, Li, Y, Weis, F. | Deposit date: | 2019-02-15 | Release date: | 2020-02-05 | Last modified: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening. Nat.Struct.Mol.Biol., 27, 2020
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5JMX
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![BU of 5jmx by Molmil](/molmil-images/mine/5jmx) | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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8JQU
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![BU of 8jqu by Molmil](/molmil-images/mine/8jqu) | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | Deposit date: | 2023-06-14 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani To Be Published
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1T2K
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![BU of 1t2k by Molmil](/molmil-images/mine/1t2k) | Structure Of The DNA Binding Domains Of IRF3, ATF-2 and Jun Bound To DNA | Descriptor: | 31-MER, Cyclic-AMP-dependent transcription factor ATF-2, Interferon regulatory factor 3, ... | Authors: | Panne, D, Maniatis, T, Harrison, S.C. | Deposit date: | 2004-04-21 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of ATF-2/c-Jun and IRF-3 bound to the interferon-beta enhancer. Embo J., 23, 2004
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2O61
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6GYR
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![BU of 6gyr by Molmil](/molmil-images/mine/6gyr) | Transcription factor dimerization activates the p300 acetyltransferase | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | Authors: | Panne, D, Ortega, E. | Deposit date: | 2018-07-01 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Transcription factor dimerization activates the p300 acetyltransferase. Nature, 562, 2018
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6GYT
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5D9D
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![BU of 5d9d by Molmil](/molmil-images/mine/5d9d) | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5D9C
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![BU of 5d9c by Molmil](/molmil-images/mine/5d9c) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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7AMZ
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![BU of 7amz by Molmil](/molmil-images/mine/7amz) | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | Deposit date: | 2020-10-10 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters. Eur.J.Med.Chem., 218, 2021
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5XFE
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![BU of 5xfe by Molmil](/molmil-images/mine/5xfe) | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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