2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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6UKU
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![BU of 6uku by Molmil](/molmil-images/mine/6uku) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | Descriptor: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UL0
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![BU of 6ul0 by Molmil](/molmil-images/mine/6ul0) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | Descriptor: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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8CEO
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![BU of 8ceo by Molmil](/molmil-images/mine/8ceo) | |
7MJY
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![BU of 7mjy by Molmil](/molmil-images/mine/7mjy) | MiaB in the complex with s-adenosyl-L-homocysteine and RNA | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. | Deposit date: | 2021-04-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Nature, 597, 2021
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8CEN
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![BU of 8cen by Molmil](/molmil-images/mine/8cen) | Yeast RNA polymerase II transcription pre-initiation complex with core Mediator | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Wang, H, Schilbach, S, Cramer, P. | Deposit date: | 2023-02-02 | Release date: | 2023-03-22 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Yeast PIC-Mediator structure with RNA polymerase II C-terminal domain. Proc.Natl.Acad.Sci.USA, 120, 2023
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1GQA
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![BU of 1gqa by Molmil](/molmil-images/mine/1gqa) | |
7MJW
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![BU of 7mjw by Molmil](/molmil-images/mine/7mjw) | Methylated MiaB in the complex with 5'-deoxyadenosine, methionine and RNA | Descriptor: | 5'-DEOXYADENOSINE, FE3-S4 methylated cluster, IRON/SULFUR CLUSTER, ... | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. | Deposit date: | 2021-04-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Nature, 597, 2021
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7MJX
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![BU of 7mjx by Molmil](/molmil-images/mine/7mjx) | MiaB in the complex with 5'-deoxyadenosine, methionine and RNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-DEOXYADENOSINE, FE3-S4 CLUSTER, ... | Authors: | Esakova, O.A, Grove, T.L, Yennawar, N.H, Arcinas, A.J, Wang, B, Krebs, C, Almo, S.C, Booker, S.J. | Deposit date: | 2021-04-20 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Nature, 597, 2021
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6RZ2
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![BU of 6rz2 by Molmil](/molmil-images/mine/6rz2) | SalL with Chloroadenosine | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
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1QLE
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![BU of 1qle by Molmil](/molmil-images/mine/1qle) | |
2VCP
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![BU of 2vcp by Molmil](/molmil-images/mine/2vcp) | Crystal structure of N-Wasp VC domain in complex with skeletal actin | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gaucher, J.F, Didry, D, Carlier, M.F. | Deposit date: | 2007-09-26 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Interactions of isolated C-terminal fragments of neural Wiskott-Aldrich syndrome protein (N-WASP) with actin and Arp2/3 complex. J. Biol. Chem., 287, 2012
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6UKV
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![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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5NT7
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![BU of 5nt7 by Molmil](/molmil-images/mine/5nt7) | |
4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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7MX3
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![BU of 7mx3 by Molmil](/molmil-images/mine/7mx3) | Crystal structure of human RIPK3 complexed with GSK'843 | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Davies, K.A, Czabotar, P.E. | Deposit date: | 2021-05-18 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
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3LRR
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![BU of 3lrr by Molmil](/molmil-images/mine/3lrr) | Crystal structure of human RIG-I CTD bound to a 12 bp AU rich 5' ppp dsRNA | Descriptor: | Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(ATP)P*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*U)-3'), ZINC ION | Authors: | Li, P. | Deposit date: | 2010-02-11 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain. Structure, 18, 2010
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4U80
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![BU of 4u80 by Molmil](/molmil-images/mine/4u80) | MEK 1 kinase bound to G799 | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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6U8D
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![BU of 6u8d by Molmil](/molmil-images/mine/6u8d) | Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV2 | Descriptor: | Heavy chain of Fab HCV2, JIIIabc RNA (68-MER), Light chain of Fab HCV2 | Authors: | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | Deposit date: | 2019-09-04 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation. Acs Chem.Biol., 15, 2020
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6DAZ
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![BU of 6daz by Molmil](/molmil-images/mine/6daz) | X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate | Descriptor: | (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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6UKX
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![BU of 6ukx by Molmil](/molmil-images/mine/6ukx) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | Descriptor: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKZ
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![BU of 6ukz by Molmil](/molmil-images/mine/6ukz) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | Descriptor: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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4U6Q
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![BU of 4u6q by Molmil](/molmil-images/mine/4u6q) | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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6DFR
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![BU of 6dfr by Molmil](/molmil-images/mine/6dfr) | |
5EC2
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![BU of 5ec2 by Molmil](/molmil-images/mine/5ec2) | KcsA with V76ester+G77dA mutations | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | Authors: | Matulef, K, Valiyaveetil, F.I. | Deposit date: | 2015-10-20 | Release date: | 2016-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation. Structure, 24, 2016
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