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6Y4A
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BU of 6y4a by Molmil
Crystal structure of the M295I variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-02-20
Release date:2021-09-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
5UEG
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BU of 5ueg by Molmil
RNA primer-template complex with guanosine dinucleotide G(5')pppp(5')G ligand
Descriptor: RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Authors:Zhang, W, Tam, C.P, Szostak, J.W.
Deposit date:2017-01-02
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8PE2
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BU of 8pe2 by Molmil
Crystal structure of Gel4 in complex with Nanobody 3
Descriptor: 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ...
Authors:Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R.
Deposit date:2023-06-13
Release date:2024-06-19
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
5UEF
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BU of 5uef by Molmil
RNA primer-template complex with guanosine dinucleotide p(5')G(3')p(5')G ligand
Descriptor: RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), RNA (5'-R(P*GP*G)-3')
Authors:Zhang, W, Tam, C.P, Szostak, J.W.
Deposit date:2017-01-02
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UED
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BU of 5ued by Molmil
RNA primer-template complex with guanosine dinucleotide ligand G(5')pp(5')G
Descriptor: RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Zhang, W, Tam, C.P, Szostak, J.W.
Deposit date:2017-01-01
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UEE
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BU of 5uee by Molmil
RNA primer-template complex with guanosine dinucleotide ligand G(5')ppp(5')G
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3')
Authors:Zhang, W, Tam, C.P, Szostak, J.W.
Deposit date:2017-01-01
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8CXO
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BU of 8cxo by Molmil
Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment
Descriptor: CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera
Authors:Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y.
Deposit date:2022-05-22
Release date:2022-08-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
6JIO
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BU of 6jio by Molmil
Human LXR-beta in complex with a ligand
Descriptor: Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-02-22
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
7ZYM
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BU of 7zym by Molmil
Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D.
Deposit date:2022-05-25
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
6IA9
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BU of 6ia9 by Molmil
urate oxidase under 2000 bar (220 MPa) of argon
Descriptor: 8-AZAXANTHINE, ACETYL GROUP, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
7ZJ5
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BU of 7zj5 by Molmil
Unbound state of a brocolli-pepper aptamer FRET tile.
Descriptor: POTASSIUM ION, brocolli-pepper aptamer
Authors:McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
8RYI
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BU of 8ryi by Molmil
Metformin hydrolase from Aminobacter niigataensis MD1 with urea in the active site
Descriptor: Agmatinase family protein, Arginase family protein, CALCIUM ION, ...
Authors:Fleming, J.R, Lutz, H, Bachmann, A, Mayans, O.
Deposit date:2024-02-08
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Metformin hydrolase is a recently evolved, nickel-dependent, heteromeric ureohydrolase
To Be Published
1GDU
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BU of 1gdu by Molmil
FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION
Descriptor: GLY-ALA-ARG, SULFATE ION, TRYPSIN
Authors:Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S.
Deposit date:2000-09-29
Release date:2001-02-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
6YZF
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BU of 6yzf by Molmil
Crystal structure of the M295Y variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, GLU-HIS-SER, ...
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6YZD
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BU of 6yzd by Molmil
Crystal structure of the M295A variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, SULFATE ION
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-06
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6YZY
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BU of 6yzy by Molmil
Crystal structure of the M295V variant of Ssl1
Descriptor: COPPER (II) ION, Copper oxidase, SULFATE ION
Authors:Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
Deposit date:2020-05-07
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
5T1Z
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BU of 5t1z by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Ethoxytriphenylethylene and GRIP Peptide
Descriptor: 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Rajan, S.S, Maximov, P.Y, Abderrahman, B.H, Surojeet, S, Fernandes, D.J, Fan, P, Curpan, R.F, Greene, G.L, Jordan, V.C.
Deposit date:2016-08-22
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
6SKX
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BU of 6skx by Molmil
Structure of Reductive Aminase from Neosartorya fumigata
Descriptor: Oxidoreductase, putative
Authors:Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
Deposit date:2019-08-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
6X48
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BU of 6x48 by Molmil
Sortilin-Progranulin Interaction With Compound 17
Descriptor: GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ...
Authors:Parthasarathy, G, Soisson, S.M.
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
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
Authors:Takahashi, T.S, Sato, Y, Fukai, S.
Deposit date:2017-04-27
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
6OAV
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BU of 6oav by Molmil
JAK2 JH2 in complex with JAK146
Descriptor: 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L.
Deposit date:2019-03-18
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
4KG0
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BU of 4kg0 by Molmil
Crystal structure of the drosophila melanogaster neuralized-nhr1 domain
Descriptor: MAGNESIUM ION, Protein neuralized
Authors:Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L.
Deposit date:2013-04-28
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized
Advances in Enzyme Research, 1, 2013
7DDR
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BU of 7ddr by Molmil
Ancestral myoglobin aMbSp of Puijila Darwini relative (imidazol ligand)
Descriptor: Ancestral myoglobin aMbSp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
Deposit date:2020-10-29
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021
7DDT
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BU of 7ddt by Molmil
Ancestral myoglobin aMbSe of Enaliarctos relative (imidazol ligand)
Descriptor: Ancestral myoglobin aMbSe, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
Deposit date:2020-10-29
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021

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