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6RFX
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BU of 6rfx by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus
Descriptor: ACETATE ION, CITRIC ACID, Eis2, ...
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6RFY
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BU of 6rfy by Molmil
Crystal structure of Eis2 form Mycobacterium abscessus
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Eis2, SULFATE ION
Authors:Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
Deposit date:2019-04-16
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
6F7C
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BU of 6f7c by Molmil
TUBULIN-Compound 12 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide, CALCIUM ION, ...
Authors:Muehlethaler, T, Prota, A.E, Steinmetz, M.O.
Deposit date:2017-12-08
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural Basis of Colchicine-Site targeting Acylhydrazones active against Multidrug-Resistant Acute Lymphoblastic Leukemia.
Iscience, 21, 2019
7ANQ
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BU of 7anq by Molmil
Complete PCSK9 C-ter domain in complex with VHH P1.40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ...
Authors:Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C.
Deposit date:2020-10-12
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels.
Mol Metab, 67, 2022
8JZM
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BU of 8jzm by Molmil
The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B.
Deposit date:2023-07-05
Release date:2024-05-01
Method:SOLUTION NMR
Cite:o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
7AGL
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BU of 7agl by Molmil
crystal structure of the apo form of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium abscessus.
Descriptor: N-acetylmuramoyl-L-alanine amidase, ZINC ION
Authors:Blaise, M.
Deposit date:2020-09-23
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Cells, 9, 2020
7AGO
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BU of 7ago by Molmil
crystal structure of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium abscessus bound to L-Alanine-D-isoglutamine
Descriptor: ALANINE, D-alpha-glutamine, N-acetylmuramoyl-L-alanine amidase, ...
Authors:Blaise, M.
Deposit date:2020-09-23
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Cells, 9, 2020
5MDI
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BU of 5mdi by Molmil
Crystal structure of TDP-43 N-terminal domain at 2.1 A resolution
Descriptor: ACETATE ION, TAR DNA-binding protein 43
Authors:Afroz, T, Hock, E.-M, Ernst, P, Foglieni, C, Jambeau, M, Gilhespy, L, Laferriere, F, Maniecka, Z, Plueckthun, A, Mittl, P, Paganetti, P, Allain, F.H.T, Polymenidou, M.
Deposit date:2016-11-11
Release date:2017-07-05
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation.
Nat Commun, 8, 2017
5ZOB
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BU of 5zob by Molmil
Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide
Descriptor: 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-12
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMQ
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BU of 5zmq by Molmil
Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
Descriptor: Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZXN
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BU of 5zxn by Molmil
Crystal structure of CurA from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP-dependent oxidoreductase
Authors:Kim, M.-K, Bae, D.-W, Cha, S.-S.
Deposit date:2018-05-21
Release date:2019-04-03
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
5ZXU
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BU of 5zxu by Molmil
Crystal structure of CurA in complex with NADPH from Vibrio vulnificus
Descriptor: NADP-dependent oxidoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, M.-K, Bae, D.-W, Cha, S.-S.
Deposit date:2018-05-21
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
5V4L
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BU of 5v4l by Molmil
Cryptococcus neoformans adenylosuccinate lyase
Descriptor: Adenylosuccinate lyase
Authors:Chitty, J, Williams, S.J, Kobe, B, Fraser, J.A.
Deposit date:2017-03-09
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cryptococcus neoformans ADS lyase is an enzyme essential for virulence whose crystal structure reveals features exploitable in antifungal drug design.
J. Biol. Chem., 292, 2017
1HUP
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BU of 1hup by Molmil
HUMAN MANNOSE BINDING PROTEIN CARBOHYDRATE RECOGNITION DOMAIN TRIMERIZES THROUGH A TRIPLE ALPHA-HELICAL COILED-COIL
Descriptor: CALCIUM ION, MANNOSE-BINDING PROTEIN, SULFATE ION
Authors:Sheriff, S.
Deposit date:1994-09-21
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human mannose-binding protein carbohydrate recognition domain trimerizes through a triple alpha-helical coiled-coil.
Nat.Struct.Biol., 1, 1994
7RZ3
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BU of 7rz3 by Molmil
The solution structure of remipede double-ICK toxin phi-Xibalbin3-Xt3a
Descriptor: Xt3a
Authors:Maxwell, M, Chin, Y.K, Mobli, M.
Deposit date:2021-08-27
Release date:2022-08-31
Last modified:2023-03-08
Method:SOLUTION NMR
Cite:A bivalent remipede toxin promotes calcium release via ryanodine receptor activation.
Nat Commun, 14, 2023
6T84
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BU of 6t84 by Molmil
crystal structure of the mycobacterial trehalose monomycolate transport factor A, TtfA
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Blaise, M.
Deposit date:2019-10-24
Release date:2019-12-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of the mycobacterial trehalose monomycolate transport factor A, TtfA, reveals an atypical fold.
Proteins, 88, 2020
5EA9
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BU of 5ea9 by Molmil
Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ...
Authors:Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
Deposit date:2015-10-15
Release date:2016-10-19
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
2N6N
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BU of 2n6n by Molmil
Structure Determination for spider toxin, U4-agatoxin-Ao1a
Descriptor: U4-agatoxin-Ao1a
Authors:Pineda, S.S, Chin, Y.K.-Y, Mobli, M.S, King, G.F.
Deposit date:2015-08-27
Release date:2016-08-31
Last modified:2023-03-08
Method:SOLUTION NMR
Cite:Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene.
Proc.Natl.Acad.Sci.USA, 117, 2020
2MUN
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BU of 2mun by Molmil
Solution structure of mu-SLPTX3-Ssm6a
Descriptor: Mu-scoloptoxin-Ssm6a
Authors:Undheim, E.A.B, King, G.F, Mobli, M.
Deposit date:2014-09-13
Release date:2015-06-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators.
Structure, 23, 2015
2N8K
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BU of 2n8k by Molmil
Chemical Shift Assignments and Structure Determination for spider toxin, U33-theraphotoxin-Cg1c
Descriptor: U33-theraphotoxin-Cg1b
Authors:Chin, Y.K.-Y, Pineda, S.S, Mobli, M, King, G.F.
Deposit date:2015-10-20
Release date:2016-08-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene.
Proc.Natl.Acad.Sci.USA, 117, 2020
2N6R
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BU of 2n6r by Molmil
NMR structure of spider toxin U4-hexatoxin-Hi1a
Descriptor: U4-hexatoxin-Hi1a
Authors:Pineda, S.S, Chin, Y.K.-Y, King, G.F.
Deposit date:2015-08-28
Release date:2016-08-31
Last modified:2023-03-08
Method:SOLUTION NMR
Cite:Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene.
Proc.Natl.Acad.Sci.USA, 117, 2020
8SJV
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BU of 8sjv by Molmil
[4T24] Self-assembling left-handed tensegrity triangle with 24 interjunction base pairs and R3 symmetry
Descriptor: DNA (5'-D(P*CP*TP*TP*GP*TP*AP*GP*TP*CP*TP*CP*AP*CP*CP*AP*CP*TP*GP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*GP*AP*AP*CP*AP*CP*TP*CP*CP*TP*GP*AP*GP*AP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*AP*CP*AP*TP*CP*AP*CP*AP*GP*TP*GP*GP*AP*CP*TP*AP*CP*AP*AP*G)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (8.59 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJR
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BU of 8sjr by Molmil
[3T17] Self-assembling right-handed tensegrity triangle with 17 interjunction base pairs and R3 symmetry
Descriptor: DNA (5'-D(*CP*AP*GP*CP*AP*GP*CP*CP*TP*GP*AP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*TP*GP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*TP*AP*TP*TP*CP*AP*CP*CP*AP*CP*GP*AP*T)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (5.25 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SJM
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BU of 8sjm by Molmil
[3T12] Self-assembling left-handed tensegrity triangle with 12 interjunction base pairs and R3 symmetry
Descriptor: DNA (5'-D(*CP*AP*GP*CP*AP*TP*CP*GP*CP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*AP*TP*GP*TP*GP*GP*CP*GP*AP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*AP*TP*GP*CP*GP*AP*G)-3'), ...
Authors:Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P.
Deposit date:2023-04-18
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (8.08 Å)
Cite:Engineering tertiary chirality in helical biopolymers.
Proc.Natl.Acad.Sci.USA, 121, 2024

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