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6RW8
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BU of 6rw8 by Molmil
Cryo-EM structure of Xenorhabdus nematophila XptA1
Descriptor: A component of insecticidal toxin complex (Tc)
Authors:Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S.
Deposit date:2019-06-04
Release date:2019-10-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Common architecture of Tc toxins from human and insect pathogenic bacteria.
Sci Adv, 5, 2019
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7C8V
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BU of 7c8v by Molmil
Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
6S0L
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BU of 6s0l by Molmil
Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-17
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LVX
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BU of 5lvx by Molmil
Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
1TOV
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BU of 1tov by Molmil
Structural genomics of Caenorhabditis elegans: CAP-GLY domain of F53F4.3
Descriptor: Hypothetical protein F53F4.3 in chromosome V, SULFATE ION
Authors:Li, S, Finley, J, Liu, Z.J, Qiu, S.H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, Delucas, L.J, Richardson, D, Richardson, J, Wang, B.C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-06-15
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of the Cytoskeleton-Associated Protein Glycine-Rich (CAP-Gly) Domain
J.Biol.Chem., 277, 2002
7CRC
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BU of 7crc by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ...
Authors:Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
Deposit date:2020-08-13
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
6X4H
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BU of 6x4h by Molmil
Sortilin-Progranulin Interaction With Compound 24
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ...
Authors:Parthasarathy, G, Soisson, S.M, Klein, D.
Deposit date:2020-05-22
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
Descriptor: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-06-03
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CR7
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BU of 7cr7 by Molmil
human KCNQ2-CaM in complex with retigabine
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
6RWB
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BU of 6rwb by Molmil
Cryo-EM structure of Yersinia pseudotuberculosis TcaA-TcaB
Descriptor: Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit
Authors:Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S.
Deposit date:2019-06-04
Release date:2019-10-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Common architecture of Tc toxins from human and insect pathogenic bacteria.
Sci Adv, 5, 2019
5LPM
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BU of 5lpm by Molmil
Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
Descriptor: ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
Authors:Huegle, M, Wohlwend, D, Gerhardt, S.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LCN
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BU of 5lcn by Molmil
STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121
Descriptor: PENTAETHYLENE GLYCOL, Uncharacterized protein
Authors:Varejao, N, Reverter, D.
Deposit date:2016-06-22
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
6UC5
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BU of 6uc5 by Molmil
Fab397 in complex with NPNA peptide
Descriptor: Fab397 heavy chain, Fab397 light chain, NPNA peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2019-09-13
Release date:2020-01-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Diverse Antibody Responses to Conserved Structural Motifs in Plasmodium falciparum Circumsporozoite Protein.
J.Mol.Biol., 432, 2020
7CR0
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BU of 7cr0 by Molmil
human KCNQ2 in apo state
Descriptor: Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5LMD
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BU of 5lmd by Molmil
The crystal structure of hCA II in complex with a benzoxaborole inhibitor
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION
Authors:De Simone, G, Alterio, V, Esposito, D, Di Fiore, A.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
7CR3
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BU of 7cr3 by Molmil
human KCNQ2-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
7C31
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BU of 7c31 by Molmil
Crystal structure of the grapevine defensin VvK1
Descriptor: Knot1 domain-containing protein
Authors:Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D.
Deposit date:2020-05-10
Release date:2020-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
6RWA
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BU of 6rwa by Molmil
Cryo-EM structure of Photorhabdus luminescens TcdA4
Descriptor: TcdA4
Authors:Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S.
Deposit date:2019-06-04
Release date:2019-10-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Common architecture of Tc toxins from human and insect pathogenic bacteria.
Sci Adv, 5, 2019
6S19
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BU of 6s19 by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1D
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BU of 6s1d by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1G
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BU of 6s1g by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
Deposit date:2019-06-18
Release date:2020-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020

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