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6XFG
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BU of 6xfg by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J23 immobile Holliday junction
Descriptor: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*GP*GP*TP*CP*TP*GP*C)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-06-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.053 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XFW
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BU of 6xfw by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J24 immobile Holliday junction
Descriptor: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*GP*GP*TP*CP*TP*GP*C)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-06-16
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.053 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
5CHX
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BU of 5chx by Molmil
Crystal Structure of amino acids 1590-1657 of MYH7
Descriptor: Xrcc4-MYH7-1590-1657
Authors:Korkmaz, N.E, Taylor, K.C, Andreas, M.P, Ajay, G, Heinz, N.T, Cui, Q, Rayment, I.
Deposit date:2015-07-10
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A composite approach towards a complete model of the myosin rod.
Proteins, 84, 2016
3FE3
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BU of 3fe3 by Molmil
Crystal structure of the kinase MARK3/Par-1: T211A-S215A double mutant
Descriptor: MAP/microtubule affinity-regulating kinase 3
Authors:Nugoor, C, Marx, A, Panneerselvam, S, Mandelkow, E.-M, Mandelkow, E.
Deposit date:2008-11-27
Release date:2008-12-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the kinase MARK3/Par-1: T211A-S215A double mutant
TO BE PUBLISHED
2WOK
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BU of 2wok by Molmil
Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin
Descriptor: CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1
Authors:Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I.
Deposit date:2009-07-26
Release date:2009-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
2BOG
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BU of 2bog by Molmil
Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside
Descriptor: ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside
Authors:Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A.
Deposit date:2005-04-10
Release date:2005-10-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Biochemistry, 44, 2005
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
Descriptor: Beta-1,3-glucanase
Authors:Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
6SI5
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BU of 6si5 by Molmil
T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one
Descriptor: 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION
Authors:Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W.
Deposit date:2019-08-08
Release date:2020-08-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
2C6G
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BU of 2c6g by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-09
Release date:2006-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006
8AD8
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BU of 8ad8 by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide
Descriptor: D-tryptophyl-L-serine, GLYCEROL, PHOSPHATE ION, ...
Authors:Gafe, S, Moritzer, A.C, Montua, N, Sewald, N, Niemann, H.H.
Deposit date:2022-07-08
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Enzymatic Late-Stage Halogenation of Peptides.
Chembiochem, 24, 2023
9C10
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BU of 9c10 by Molmil
AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers
Descriptor: (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Ghimire-Rijal, S, Mukund, S.
Deposit date:2024-05-28
Release date:2024-10-02
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:AMG 193, a Clinical Stage MTA-Cooperative PRMT5 Inhibitor, Drives Antitumor Activity Preclinically and in Patients with MTAP-Deleted Cancers.
Cancer Discov, 15, 2025
6HYK
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BU of 6hyk by Molmil
NMR solution structure of the C/D box snoRNA U14
Descriptor: RNA (31-MER)
Authors:Chagot, M.E, Quinternet, M, Rothe, B, Charpentier, B, Coutant, J, Manival, X, Lebars, I.
Deposit date:2018-10-22
Release date:2019-04-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The yeast C/D box snoRNA U14 adopts a "weak" K-turn like conformation recognized by the Snu13 core protein in solution.
Biochimie, 164, 2019
6I1Y
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BU of 6i1y by Molmil
Vibrio vulnificus EpsD
Descriptor: General secretion pathway protein GspD
Authors:Contreras-Martel, C, Farias Estrozi, L.
Deposit date:2018-10-30
Release date:2019-04-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and assembly of pilotin-dependent and -independent secretins of the type II secretion system.
Plos Pathog., 15, 2019
9HS7
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BU of 9hs7 by Molmil
Anti-HIV-1 chimeric miniprotein mimicking the N-terminal half of gp41 NHR with an extended region targeting the MPER
Descriptor: DI(HYDROXYETHYL)ETHER, Transmembrane protein gp41
Authors:Camara-Artigas, A, Gavira, J.A, Conejero-Lara, F, Polo-Megias, D, Salinas-Garcia, M.C.
Deposit date:2024-12-18
Release date:2025-04-30
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Potent HIV-1 miniprotein inhibitors targeting highly conserved gp41 epitopes.
Int.J.Biol.Macromol., 310, 2025
8A0D
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BU of 8a0d by Molmil
Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family
Descriptor: Allergen lipocalin Cav p 1 isoform 1
Authors:Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K.
Deposit date:2022-05-27
Release date:2022-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.685 Å)
Cite:Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
6I8V
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BU of 6i8v by Molmil
KtrC with ATP bound
Descriptor: 1,4-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Rocha, R, Morais-Cabral, J.H.
Deposit date:2018-11-21
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Characterization of the molecular properties of KtrC, a second RCK domain that regulates a Ktr channel in Bacillus subtilis.
J.Struct.Biol., 205, 2019
4K37
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BU of 4k37 by Molmil
Native anSMEcpe with bound AdoMet
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
7U72
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BU of 7u72 by Molmil
Human DNA polymerase eta-DNA ternary mismatch complex:ground state at pH7.0 (K+ MES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-03-07
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:In crystallo observation of three metal ion promoted DNA polymerase misincorporation.
Nat Commun, 13, 2022
2BPR
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BU of 2bpr by Molmil
NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, 25 STRUCTURES
Descriptor: DNAK
Authors:Wang, H, Kurochkin, A.V, Pang, Y, Hu, W, Flynn, G.C, Zuiderweg, E.R.P.
Deposit date:1998-08-11
Release date:1999-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of the 21 kDa chaperone protein DnaK substrate binding domain: a preview of chaperone-protein interaction.
Biochemistry, 37, 1998
7U76
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BU of 7u76 by Molmil
Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 0.5 mM Mn2+ for 1800s then with 10 mM Mn2+ for 300s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*())-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-03-07
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:In crystallo observation of three metal ion promoted DNA polymerase misincorporation.
Nat Commun, 13, 2022
7U7C
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BU of 7u7c by Molmil
Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 1.0 mM Mg2+ for 300s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*G)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-03-07
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:In crystallo observation of three metal ion promoted DNA polymerase misincorporation.
Nat Commun, 13, 2022
7U7J
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BU of 7u7j by Molmil
Human DNA polymerase eta-DNA ternary mismatch complex:reaction with 10.0 mM Mn2+ for 300s
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*G)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-03-07
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:In crystallo observation of three metal ion promoted DNA polymerase misincorporation.
Nat Commun, 13, 2022
7U7W
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BU of 7u7w by Molmil
Human DNA polymerase eta-DNA-dGMPNPP ternary mismatch complex in 1.0 mM Mg2+ for 600s
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Chang, C, Gao, Y.
Deposit date:2022-03-07
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:In crystallo observation of three metal ion promoted DNA polymerase misincorporation.
Nat Commun, 13, 2022
9AYR
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BU of 9ayr by Molmil
Structure of a Ric1-Rgp1-Rab6 activation intermediate
Descriptor: GTP-binding protein YPT6, Guanine nucleotide exchange factor subunit RGP1, Guanine nucleotide exchange factor subunit RIC1
Authors:Feathers, J.R, Fromme, J.C.
Deposit date:2024-03-08
Release date:2024-12-11
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for Rab6 activation by the Ric1-Rgp1 complex.
Nat Commun, 15, 2024
1CEJ
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BU of 1cej by Molmil
SOLUTION STRUCTURE OF AN EGF MODULE PAIR FROM THE PLASMODIUM FALCIPARUM MEROZOITE SURFACE PROTEIN 1
Descriptor: PROTEIN (MEROZOITE SURFACE PROTEIN 1)
Authors:Morgan, W.D, Birdsall, B, Frenkiel, T.A, Gradwell, M.G, Burghaus, P.A, Syed, S.E.H, Uthaipibull, C, Holder, A.A, Feeney, J.
Deposit date:1999-03-08
Release date:1999-05-28
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure of an EGF module pair from the Plasmodium falciparum merozoite surface protein 1.
J.Mol.Biol., 289, 1999

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