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2IBL
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BU of 2ibl by Molmil
Crystal structure of a helper molecule (HT-mf-thromb) based on mini-fibritin (mf) crystal structure (pdb:1OX3).
Descriptor: Fibritin
Authors:Boudko, S.P, Rossmann, M.G.
Deposit date:2006-09-11
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Coiled-coil Domain Structure of the Sin Nombre Virus Nucleocapsid Protein.
J.Mol.Biol., 366, 2007
6TJR
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BU of 6tjr by Molmil
Structure of HdrA-like subunit from Hyphomicrobium denitrificans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
Authors:Kayastha, K, Ermler, U, Dahl, C.
Deposit date:2019-11-26
Release date:2020-08-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural and spectroscopic characterization of a HdrA-like subunit from Hyphomicrobium denitrificans.
Febs J., 288, 2021
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5ZS9
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BU of 5zs9 by Molmil
SufS from Bacillus subtilis in the resting state
Descriptor: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-28
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
6DSS
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BU of 6dss by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DSQ
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BU of 6dsq by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZST
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BU of 5zst by Molmil
NifS from Hydrogenimonas thermopile in a persulfurated form
Descriptor: Cysteine desulfurase
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-29
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
8YP4
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BU of 8yp4 by Molmil
Structure of MAP2K1 complexed with 5Z7-oxozeaenol
Descriptor: (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL
Authors:Yumura, S, Kinoshita, T.
Deposit date:2024-03-15
Release date:2025-01-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors.
Bioorg.Med.Chem.Lett., 112, 2024
5ZSK
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BU of 5zsk by Molmil
SufS from Bacillus subtilis soaked with L-cysteine for 63 sec
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine desulfurase SufS
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-28
Release date:2019-05-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
5ZSP
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BU of 5zsp by Molmil
NifS from Hydrogenimonas thermophila
Descriptor: Cysteine desulfurase
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-29
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
Descriptor: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH219
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-09-06
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8E2N
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BU of 8e2n by Molmil
Crystal Structure of Nanobody VHH113 Specific for PA14 Cif
Descriptor: Nanobody VHH113
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-08-15
Release date:2023-10-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Nanobody VHH113 Specific for PA14 Cif
To Be Published
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
5ZSO
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BU of 5zso by Molmil
SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec
Descriptor: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-29
Release date:2019-05-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
4ZQS
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BU of 4zqs by Molmil
New compact conformation of linear Ub2 structure
Descriptor: ubiquitin
Authors:Thach, T.T, Shin, D, Han, S, Lee, S.
Deposit date:2015-05-11
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin.
Acta Crystallogr D Struct Biol, 72, 2016
5JPJ
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BU of 5jpj by Molmil
Crystal structure of 6aJL2-R24G
Descriptor: 6aJL2 protein
Authors:Pelaez-Aguilar, A.E, Diaz-Vilchis, A, Amero, C, Becerril, B, Rudino-Pinera, E.
Deposit date:2016-05-03
Release date:2017-06-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 6aJL2-R24G light chain variable domain: Does crystal packing explain amyloid fibril formation?
Biochem Biophys Rep, 20, 2019
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-04-29
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6ONK
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BU of 6onk by Molmil
Dehaloperoxidase B in complex with substrate 4-Cl-cresol
Descriptor: 1,2-ETHANEDIOL, 4-chloro-2-methylphenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6ONR
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BU of 6onr by Molmil
Dehaloperoxidase B in complex with substrate 4-methyl-cresol
Descriptor: 1,2-ETHANEDIOL, 2,4-dimethylphenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6OO1
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BU of 6oo1 by Molmil
Dehaloperoxidase B in complex with substrate o-cresol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019

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