6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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1NE5
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![BU of 1ne5 by Molmil](/molmil-images/mine/1ne5) | Solution Structure of HERG Specific Scorpion Toxin CnErg1 | Descriptor: | ergtoxin | Authors: | Torres, A.M, Paramjit, B, Alewood, P, Kuchel, P.W, Vandenberg, J.I. | Deposit date: | 2002-12-10 | Release date: | 2003-04-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of CnErg1 (Ergtoxin), a HERG specific scorpion toxin FEBS Lett., 539, 2003
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6G8G
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![BU of 6g8g by Molmil](/molmil-images/mine/6g8g) | Flavonoid-responsive Regulator FrrA in complex with Genistein | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GENISTEIN, TetR/AcrR family transcriptional regulator | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | Deposit date: | 2018-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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6NMG
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![BU of 6nmg by Molmil](/molmil-images/mine/6nmg) | Crystal Structure of Rat Ric-8A G alpha binding domain | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans), SULFATE ION | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | Deposit date: | 2019-01-10 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A. Structure, 27, 2019
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8C8J
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![BU of 8c8j by Molmil](/molmil-images/mine/8c8j) | Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Walpole, T.B, Baldwin, E. | Deposit date: | 2023-01-20 | Release date: | 2023-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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5DGS
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6NMJ
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![BU of 6nmj by Molmil](/molmil-images/mine/6nmj) | Crystal Structure of Rat Ric-8A G alpha binding domain, "Paratone-N Immersed" | Descriptor: | Resistance to inhibitors of cholinesterase 8 homolog A (C. elegans) | Authors: | Zeng, B, Mou, T.C, Sprang, S.R. | Deposit date: | 2019-01-11 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, Function, and Dynamics of the G alpha Binding Domain of Ric-8A. Structure, 27, 2019
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4Q7G
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![BU of 4q7g by Molmil](/molmil-images/mine/4q7g) | 1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-24 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the components of the Staphylococcus aureus leukotoxin ED. Acta Crystallogr D Struct Biol, 72, 2016
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6NT2
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![BU of 6nt2 by Molmil](/molmil-images/mine/6nt2) | type 1 PRMT in complex with the inhibitor GSK3368715 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | Authors: | Concha, N.O. | Deposit date: | 2019-01-28 | Release date: | 2019-07-10 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss. Cancer Cell, 36, 2019
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1ZTO
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![BU of 1zto by Molmil](/molmil-images/mine/1zto) | INACTIVATION GATE OF POTASSIUM CHANNEL RCK4, NMR, 8 STRUCTURES | Descriptor: | POTASSIUM CHANNEL PROTEIN RCK4 | Authors: | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | Deposit date: | 1996-11-15 | Release date: | 1997-06-05 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels. Nature, 385, 1997
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4RVR
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![BU of 4rvr by Molmil](/molmil-images/mine/4rvr) | Crystal Structure of the bromodomain of human BAZ2B in complex WITH GSK2801 | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-11-27 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
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1ZTN
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![BU of 1ztn by Molmil](/molmil-images/mine/1ztn) | INACTIVATION GATE OF POTASSIUM CHANNEL RAW3, NMR, 8 STRUCTURES | Descriptor: | Potassium voltage-gated channel subfamily C member 4 | Authors: | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | Deposit date: | 1996-11-15 | Release date: | 1997-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels. Nature, 385, 1997
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8DSR
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![BU of 8dsr by Molmil](/molmil-images/mine/8dsr) | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | Descriptor: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | Authors: | Abendroth, J, Lorimer, D.D. | Deposit date: | 2022-07-22 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 . J.Med.Chem., 65, 2022
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2INY
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5LO5
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![BU of 5lo5 by Molmil](/molmil-images/mine/5lo5) | HSP90 WITH indole derivative | Descriptor: | 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile, Heat shock protein HSP 90-alpha | Authors: | Graedler, U, Amaral, M. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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7SR6
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![BU of 7sr6 by Molmil](/molmil-images/mine/7sr6) | Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | Authors: | Baldwin, E.T, Nichols, C. | Deposit date: | 2021-11-08 | Release date: | 2022-07-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition. Proc.Natl.Acad.Sci.USA, 119, 2022
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5LO6
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![BU of 5lo6 by Molmil](/molmil-images/mine/5lo6) | HSP90 WITH indazole derivative | Descriptor: | 3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Graedler, U, Amaral, M. | Deposit date: | 2016-08-08 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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4ATH
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![BU of 4ath by Molmil](/molmil-images/mine/4ath) | MITF apo structure | Descriptor: | MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR, SULFATE ION | Authors: | Pogenberg, V, Milewski, M, Wilmanns, M. | Deposit date: | 2012-05-08 | Release date: | 2012-12-12 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf Genes Dev., 26, 2012
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8PUO
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8SXU
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8SXT
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![BU of 8sxt by Molmil](/molmil-images/mine/8sxt) | Structure of LINE-1 ORF2p with template:primer hybrid | Descriptor: | DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | Authors: | van Eeuwen, T, Taylor, M.S, Rout, M.P. | Deposit date: | 2023-05-24 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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1AYM
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![BU of 1aym by Molmil](/molmil-images/mine/1aym) | HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION | Descriptor: | HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ... | Authors: | Hadfield, A.T, Rossmann, M.G. | Deposit date: | 1997-11-06 | Release date: | 1998-01-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The refined structure of human rhinovirus 16 at 2.15 A resolution: implications for the viral life cycle. Structure, 5, 1997
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1AYN
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![BU of 1ayn by Molmil](/molmil-images/mine/1ayn) | HUMAN RHINOVIRUS 16 COAT PROTEIN | Descriptor: | HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ... | Authors: | Hadfield, A.T, Oliveira, M.A, Zhao, R, Rossmann, M.G. | Deposit date: | 1997-11-06 | Release date: | 1998-01-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of human rhinovirus 16. Structure, 1, 1993
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5GVN
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![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | Descriptor: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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