8OQ6
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![BU of 8oq6 by Molmil](/molmil-images/mine/8oq6) | CryoEM structure of human rho1 GABAA receptor apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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7D1V
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![BU of 7d1v by Molmil](/molmil-images/mine/7d1v) | Hsp90 alpha N-terminal domain in complex with a 6C compund | Descriptor: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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7D25
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![BU of 7d25 by Molmil](/molmil-images/mine/7d25) | Hsp90 alpha N-terminal domain in complex with a 14 compund | Descriptor: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Shin, S.C, Kim, E.E. | Deposit date: | 2020-09-15 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90. Int J Mol Sci, 21, 2020
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5DQO
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![BU of 5dqo by Molmil](/molmil-images/mine/5dqo) | |
8PC5
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![BU of 8pc5 by Molmil](/molmil-images/mine/8pc5) | H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Veverka, V. | Deposit date: | 2023-06-09 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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6ZPL
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![BU of 6zpl by Molmil](/molmil-images/mine/6zpl) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | Descriptor: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-07-08 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.945 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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4ZLW
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8OQ7
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![BU of 8oq7 by Molmil](/molmil-images/mine/8oq7) | CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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1OV6
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![BU of 1ov6 by Molmil](/molmil-images/mine/1ov6) | M64V PNP + ALLO | Descriptor: | 9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, P.W, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | Deposit date: | 2003-03-25 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system. Chem.Biol., 10, 2003
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3VD9
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![BU of 3vd9 by Molmil](/molmil-images/mine/3vd9) | E. coli (lacZ) beta-galactosidase (N460S) in complex with IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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8OQA
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![BU of 8oqa by Molmil](/molmil-images/mine/8oqa) | CryoEM structure of human rho1 GABAA receptor in complex with GABA and picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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4Z1M
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![BU of 4z1m by Molmil](/molmil-images/mine/4z1m) | Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
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7NEA
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![BU of 7nea by Molmil](/molmil-images/mine/7nea) | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M3 mutant). | Descriptor: | Branched-chain-amino-acid aminotransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2021-02-03 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum. Plos One, 16, 2021
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8PC6
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![BU of 8pc6 by Molmil](/molmil-images/mine/8pc6) | H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex - pose 2 | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Veverka, V. | Deposit date: | 2023-06-09 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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2JDM
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![BU of 2jdm by Molmil](/molmil-images/mine/2jdm) | Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | Authors: | Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M. | Deposit date: | 2007-01-11 | Release date: | 2007-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference. Bmc Struct.Biol., 7, 2007
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8OQ8
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![BU of 8oq8 by Molmil](/molmil-images/mine/8oq8) | CryoEM structure of human rho1 GABAA receptor in complex with pore blocker picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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3VDC
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![BU of 3vdc by Molmil](/molmil-images/mine/3vdc) | E. coli (lacZ) beta-galactosidase (N460T) in complex with IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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6RZD
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![BU of 6rzd by Molmil](/molmil-images/mine/6rzd) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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5DWJ
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![BU of 5dwj by Molmil](/molmil-images/mine/5dwj) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | Descriptor: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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7N2U
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![BU of 7n2u by Molmil](/molmil-images/mine/7n2u) | Elongating 70S ribosome complex in a hybrid-H1 pre-translocation (PRE-H1) conformation | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | Authors: | Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C. | Deposit date: | 2021-05-29 | Release date: | 2021-07-14 | Last modified: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Structural basis of early translocation events on the ribosome. Nature, 595, 2021
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8OP9
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![BU of 8op9 by Molmil](/molmil-images/mine/8op9) | CryoEM structure of human rho1 GABAA receptor in complex with GABA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-06 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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8P8A
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![BU of 8p8a by Molmil](/molmil-images/mine/8p8a) | Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | Authors: | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | Deposit date: | 2023-05-31 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies. J.Mol.Biol., 435, 2023
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5DWI
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![BU of 5dwi by Molmil](/molmil-images/mine/5dwi) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | Descriptor: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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6E8C
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![BU of 6e8c by Molmil](/molmil-images/mine/6e8c) | Crystal structure of the double homeodomain of DUX4 in complex with DNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | Deposit date: | 2018-07-27 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA. Cell Rep, 25, 2018
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5DXP
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![BU of 5dxp by Molmil](/molmil-images/mine/5dxp) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | Descriptor: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-23 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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