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8EEO
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BU of 8eeo by Molmil
C. ammoniagenes monoamine oxidase bound to cadaverine
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PENTANE-1,5-DIAMINE
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-07
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8VUU
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BU of 8vuu by Molmil
Human GluN1-2B with Fab 007-168
Descriptor: 007-168 Heavy, 007-168 Light, Glutamate receptor ionotropic, ...
Authors:Michalski, K, Furukawa, H.
Deposit date:2024-01-29
Release date:2024-09-11
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structural and functional mechanisms of anti-NMDAR autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
5A3J
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BU of 5a3j by Molmil
Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid.
Descriptor: (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC
Authors:Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D.
Deposit date:2015-06-01
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
4WDC
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BU of 4wdc by Molmil
High-resolution crystal structure of water-soluble FraC (mutation F16P)
Descriptor: Fragaceatoxin C
Authors:Caaveiro, J.M.M, Morante, K, Tsumoto, K.
Deposit date:2014-09-08
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A Pore-Forming Toxin Requires a Specific Residue for Its Activity in Membranes with Particular Physicochemical Properties
J.Biol.Chem., 290, 2015
621P
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BU of 621p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2021-07-23
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
6P4D
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BU of 6p4d by Molmil
Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4A
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BU of 6p4a by Molmil
HyHEL10 Fab complexed with hen egg lysozyme carrying two mutations (HEL2x-rigid): R21Q and R73E
Descriptor: HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, Lysozyme C
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PEZ
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BU of 6pez by Molmil
SOLID-STATE NMR STRUCTURE OF PISCIDIN 3 IN ALIGNED 4:1 PHOSPHATIDYLCHOLINE/CHOLESTEROL LIPID BILAYERS
Descriptor: Piscidin-3
Authors:Greenwood, A.I, Cairns, L.S, Fu, R, Cotten, M.L.
Deposit date:2019-06-21
Release date:2019-10-16
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The host-defense peptide piscidin P1 reorganizes lipid domains in membranes and decreases activation energies in mechanosensitive ion channels.
J.Biol.Chem., 294, 2019
6WLO
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BU of 6wlo by Molmil
hc16 ligase models, 11.0 Angstrom resolution
Descriptor: RNA (338-MER)
Authors:Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R.
Deposit date:2020-04-20
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
8SKH
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BU of 8skh by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
Descriptor: 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-04-19
Release date:2023-06-07
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
8SK4
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BU of 8sk4 by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)
Descriptor: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5, IMIDAZOLE
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-04-18
Release date:2023-06-07
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 2023
6XYY
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BU of 6xyy by Molmil
Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
6XYS
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BU of 6xys by Molmil
Update of native acetylcholinesterase from Drosophila Melanogaster
Descriptor: ACETATE ION, Acetylcholinesterase, CHLORIDE ION, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
6XYU
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BU of 6xyu by Molmil
Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
Descriptor: 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, IODIDE ION, ...
Authors:Nachon, F, Sussman, J.L.
Deposit date:2020-01-31
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
7R0O
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BU of 7r0o by Molmil
Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425).
Descriptor: AGAP001425-PA, CHLORIDE ION, GLYCEROL
Authors:Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F.
Deposit date:2022-02-02
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues.
Curr Res Struct Biol, 4, 2022
3ODA
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BU of 3oda by Molmil
Human PARP-1 zinc finger 1 (Zn1) bound to DNA
Descriptor: 5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3', Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Pascal, J.M, Langelier, M.-F.
Deposit date:2010-08-11
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY.
J.Biol.Chem., 286, 2011
2RM5
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BU of 2rm5 by Molmil
Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form
Descriptor: Glutathione peroxidase-like protein
Authors:Melchers, J, Feher, K, Diechtierow, M, Krauth-Siegel, L, Tews, I, Muhle-Goll, C.
Deposit date:2007-10-03
Release date:2008-07-29
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase
J.Biol.Chem., 283, 2008
1E7N
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BU of 1e7n by Molmil
The N-terminal domain of beta-B2-crystallin resembles the putative ancestral homodimer
Descriptor: BETA-CRYSTALLIN B2
Authors:Clout, N.J, Basak, A, Wieligmann, K, Bateman, O.A, Jaenicke, R, Slingsby, C.
Deposit date:2000-08-31
Release date:2000-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The N-Terminal Domain of Betab2-Crystallin Resembles the Putative Ancestral Homodimer.
J.Mol.Biol., 304, 2000
2RM6
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BU of 2rm6 by Molmil
Glutathione peroxidase-type tryparedoxin peroxidase, reduced form
Descriptor: Glutathione peroxidase-like protein
Authors:Melchers, J, Feher, K, Diechtierow, M, Krauth-Siegel, L, Muhle-Goll, C.
Deposit date:2007-10-09
Release date:2008-07-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase
J.Biol.Chem., 283, 2008
1EED
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BU of 1eed by Molmil
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors
Descriptor: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN
Authors:Blundell, T.L, Frazao, C, Cooper, J.B.
Deposit date:1992-06-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
2UVE
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BU of 2uve by Molmil
Structure of Yersinia enterocolitica Family 28 Exopolygalacturonase
Descriptor: ACETATE ION, EXOPOLYGALACTURONASE, NICKEL (II) ION, ...
Authors:Abbott, D.W, Boraston, A.B.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Structural Basis for Exopolygalacturonase Activity in a Family 28 Glycoside Hydrolase.
J.Mol.Biol., 368, 2007
2UVF
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BU of 2uvf by Molmil
Structure of Yersinia enterocolitica Family 28 Exopolygalacturonase in Complex with Digalaturonic Acid
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, EXOPOLYGALACTURONASE, ...
Authors:Abbott, D.W, Boraston, A.B.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for Exopolygalacturonase Activity in a Family 28 Glycoside Hydrolase.
J.Mol.Biol., 368, 2007
7AL4
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BU of 7al4 by Molmil
Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian)
Descriptor: Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Nicoll, C.R, Mattevi, A.
Deposit date:2020-10-05
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties.
J.Biol.Chem., 296, 2020
6CPP
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BU of 6cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
Descriptor: CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991

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