4H12
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![BU of 4h12 by Molmil](/molmil-images/mine/4h12) | The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-10 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2. J.Am.Chem.Soc., 134, 2012
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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6K7S
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![BU of 6k7s by Molmil](/molmil-images/mine/6k7s) | Crystal structure of thymidylate synthase from shrimp | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Ma, Q, Zang, K, Liu, C. | Deposit date: | 2019-06-08 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
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6K7Q
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![BU of 6k7q by Molmil](/molmil-images/mine/6k7q) | Crystal structure of thymidylate synthase from shrimp | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Ma, Q, Zang, K, Liu, C. | Deposit date: | 2019-06-08 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
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6K7R
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![BU of 6k7r by Molmil](/molmil-images/mine/6k7r) | Crystal structure of thymidylate synthase from shrimp | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Ma, Q, Zang, K, Liu, C. | Deposit date: | 2019-06-08 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
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1QFD
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![BU of 1qfd by Molmil](/molmil-images/mine/1qfd) | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | Descriptor: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | Authors: | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | Deposit date: | 1999-04-08 | Release date: | 1999-07-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth. J.Biol.Chem., 274, 1999
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5ARG
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![BU of 5arg by Molmil](/molmil-images/mine/5arg) | SMYD2 in complex with SGC probe BAY-598 | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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6LJA
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![BU of 6lja by Molmil](/molmil-images/mine/6lja) | Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-13 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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6LJL
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![BU of 6ljl by Molmil](/molmil-images/mine/6ljl) | Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | Deposit date: | 2019-12-17 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application. Nat Commun, 12, 2021
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5CX3
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![BU of 5cx3 by Molmil](/molmil-images/mine/5cx3) | Crystal structure of FYCO1 LIR in complex with LC3A | Descriptor: | FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Cheng, X, Pan, L. | Deposit date: | 2015-07-28 | Release date: | 2016-08-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins. Autophagy, 12, 2016
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7XI3
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![BU of 7xi3 by Molmil](/molmil-images/mine/7xi3) | Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-11 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.274 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XI4
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![BU of 7xi4 by Molmil](/molmil-images/mine/7xi4) | Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-12 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.707 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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7XHV
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![BU of 7xhv by Molmil](/molmil-images/mine/7xhv) | Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | Deposit date: | 2022-04-10 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.996 Å) | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family. Proc.Natl.Acad.Sci.USA, 119, 2022
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5B88
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![BU of 5b88 by Molmil](/molmil-images/mine/5b88) | RRM-like domain of DEAD-box protein, CsdA | Descriptor: | ATP-dependent RNA helicase DeaD | Authors: | Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions. Structure, 25, 2017
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3UR4
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![BU of 3ur4 by Molmil](/molmil-images/mine/3ur4) | Crystal structure of human WD repeat domain 5 with compound | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-21 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5. Biochem. J., 449, 2013
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5ARF
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![BU of 5arf by Molmil](/molmil-images/mine/5arf) | SMYD2 in complex with small molecule inhibitor compound-2 | Descriptor: | N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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5DNY
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![BU of 5dny by Molmil](/molmil-images/mine/5dny) | Structure of the ATPrS-Mre11/Rad50-DNA complex | Descriptor: | DNA (27-MER), DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ... | Authors: | Liu, Y. | Deposit date: | 2015-09-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex. Embo J., 35, 2016
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3D9H
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![BU of 3d9h by Molmil](/molmil-images/mine/3d9h) | Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein | Descriptor: | cDNA FLJ77766, highly similar to Homo sapiens ankyrin repeat and SOCS box-containing 9 (ASB9), transcript variant 2, ... | Authors: | Fei, X, Gu, X, Fan, S, Zhang, C, Ji, C. | Deposit date: | 2008-05-27 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Splice Variant of Human ASB9 (hASB9-2), an Ankyrin Repeat Protein To be published
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6I8Y
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![BU of 6i8y by Molmil](/molmil-images/mine/6i8y) | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-21 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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3EY3
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![BU of 3ey3 by Molmil](/molmil-images/mine/3ey3) | |
7DLV
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![BU of 7dlv by Molmil](/molmil-images/mine/7dlv) | shrimp dUTPase in complex with Stl | Descriptor: | CALCIUM ION, Orf20, SULFATE ION, ... | Authors: | Ma, Q, Wang, F. | Deposit date: | 2020-11-30 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.525 Å) | Cite: | Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase. Int.J.Biol.Macromol., 184, 2021
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5OJH
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![BU of 5ojh by Molmil](/molmil-images/mine/5ojh) | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | Descriptor: | CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION | Authors: | Schneider, G, Vella, P, Lindqvist, Y, Schnell, R. | Deposit date: | 2017-07-21 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium. J. Mol. Biol., 430, 2018
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8HIH
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![BU of 8hih by Molmil](/molmil-images/mine/8hih) | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Shi, J, Xu, J.C. | Deposit date: | 2022-11-20 | Release date: | 2023-06-07 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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5OLT
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![BU of 5olt by Molmil](/molmil-images/mine/5olt) | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | Descriptor: | CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION | Authors: | Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G. | Deposit date: | 2017-07-28 | Release date: | 2018-08-08 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium. J. Mol. Biol., 430, 2018
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