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3RZH
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BU of 3rzh by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZG
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BU of 3rzg by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZM
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BU of 3rzm by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZK
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BU of 3rzk by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(EDA)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*GP*AP*CP*A)-3', ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZJ
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BU of 3rzj by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
9FS9
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BU of 9fs9 by Molmil
Self assembly domain of the surface layer protein of Viridibacillus arvi (aa 765-844)
Descriptor: BROMIDE ION, S-layer
Authors:Grininger, C, Sagmeister, T, Pavkov-Keller, T.
Deposit date:2024-06-20
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SymProFold - Structural prediction of symmetrical biological assemblies
To Be Published
9FSA
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BU of 9fsa by Molmil
Cell wall anchoring domain of the surface layer protein of Methanococcus voltae (aa 24-75; 484-576)
Descriptor: S-layer protein
Authors:Grininger, C, Sagmeister, T, Pavkov-Keller, T.
Deposit date:2024-06-20
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SymProFold - Structural prediction of symmetrical biological assemblies
To Be Published
9EP9
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BU of 9ep9 by Molmil
NMR solution structure of lipid transfer protei Sola l7 from tomato seeds
Descriptor: Non-specific lipid-transfer protein
Authors:Parron-Ballesteros, J, Mantin-Pedraz, L, G.Gordo, R, Mayorga, C, Villaba, M, Batanero, E, Pantoja-Uceda, D, Turnay, J.
Deposit date:2024-03-18
Release date:2024-09-04
Method:SOLUTION NMR
Cite:Long-chain fatty acids block allergic reaction against lipid transfer protein Sola l 7 from tomato seeds.
Protein Sci., 33, 2024
4UW8
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BU of 4uw8 by Molmil
Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain
Descriptor: CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN
Authors:Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J.
Deposit date:2014-08-08
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
7OFU
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BU of 7ofu by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFS
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BU of 7ofs by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
Descriptor: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFT
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BU of 7oft by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
6VQ5
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BU of 6vq5 by Molmil
Crystal Structure of Epiphyas postvittana Pheromone Binding Protein 3
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Pheromome Binding Protein
Authors:Hamiaux, C, Carraher, C.
Deposit date:2020-02-04
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Epiphyas postvittana pheromone binding protein 3.
Sci Rep, 10, 2020
3KGA
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BU of 3kga by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Descriptor: 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
Descriptor: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
Authors:Spurlino, J, Milligan, C.
Deposit date:2020-02-12
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
Descriptor: Nanobody, RNA2 polyprotein
Authors:Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
Deposit date:2015-11-22
Release date:2016-01-20
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
5FZB
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BU of 5fzb by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-12
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
7OA3
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BU of 7oa3 by Molmil
Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium hexammine co-crystallized form)
Descriptor: Chili RNA Aptamer, DMHBO+, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-19
Release date:2021-06-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAX
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BU of 7oax by Molmil
Crystal structure of the Chili RNA aptamer in complex with DMHBO+
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBO+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAW
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BU of 7oaw by Molmil
Crystal structure of the Chili RNA aptamer in complex with DMHBI+
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBI+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAV
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BU of 7oav by Molmil
Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium III hexammine soaking crystal form)
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBO+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
4W8I
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BU of 4w8i by Molmil
Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase
Descriptor: Probable sphingosine-1-phosphate lyase
Authors:Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-24
Release date:2014-11-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy.
Proc.Natl.Acad.Sci.USA, 113, 2016
5FZF
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BU of 5fzf by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3962
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3962
To be Published
5FZG
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BU of 5fzg by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3948
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
5FZE
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BU of 5fze by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3960
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3960
To be Published

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