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7ZBO
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BU of 7zbo by Molmil
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+
Descriptor: Amine Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, M, Ducrot, L, Vergne-Vaxelaire, C, Grogan, G.
Deposit date:2022-03-24
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
7R09
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BU of 7r09 by Molmil
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+ and Cyclohexylamine
Descriptor: Amine Dehydrogenase, CYCLOHEXYLAMMONIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
Deposit date:2022-02-01
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
7QZN
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BU of 7qzn by Molmil
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
7QZL
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BU of 7qzl by Molmil
Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ...
Authors:Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
Deposit date:2022-01-31
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
1EM0
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BU of 1em0 by Molmil
COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN
Descriptor: DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
Authors:Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R.
Deposit date:2000-03-14
Release date:2000-08-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
5OC0
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BU of 5oc0 by Molmil
Structure of E. coli superoxide oxidase
Descriptor: Cytochrome b561, GLYCEROL, MAGNESIUM ION, ...
Authors:Lundgren, C.A.K, Sjostrand, D, Biner, O, Bennett, M, von Ballmoos, C, Hogbom, M.
Deposit date:2017-06-29
Release date:2018-06-20
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat. Chem. Biol., 14, 2018
8B7X
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BU of 8b7x by Molmil
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - apo form.
Descriptor: O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), SULFATE ION, Siderophore ABC transporter substrate-binding protein
Authors:Wilson, K.S, Duhme-Klair, A.K, Blagova, E.V, Bennett, M.
Deposit date:2022-10-03
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BJ9
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BU of 8bj9 by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex.
Descriptor: ABC transporter, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), ...
Authors:Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
Deposit date:2022-11-03
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BNW
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BU of 8bnw by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - apo form
Descriptor: ABC transporter, NICKEL (II) ION, SULFATE ION
Authors:Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
Deposit date:2022-11-14
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
1RKB
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BU of 1rkb by Molmil
The structure of adrenal gland protein AD-004
Descriptor: LITHIUM ION, Protein AD-004, SULFATE ION
Authors:Ren, H, Liang, Y, Bennett, M, Su, X.D.
Deposit date:2003-11-21
Release date:2005-01-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
1QBG
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BU of 1qbg by Molmil
CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S.
Deposit date:1999-04-20
Release date:2000-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
5MLK
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BU of 5mlk by Molmil
Biotin dependent carboxylase AccA3 dimer from Mycobacterium tuberculosis (Rv3285)
Descriptor: Acetyl-COA carboxylase
Authors:Bennett, M.D, Hogbom, M.
Deposit date:2016-12-07
Release date:2017-03-08
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Crystal structure of the essential biotin-dependent carboxylase AccA3 from Mycobacterium tuberculosis.
FEBS Open Bio, 7, 2017
3TBK
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BU of 3tbk by Molmil
Mouse RIG-I ATPase Domain
Descriptor: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RIG-I Helicase Domain
Authors:Civril, F, Bennett, M.D, Hopfner, K.-P.
Deposit date:2011-08-07
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The RIG-I ATPase domain structure reveals insights into ATP-dependent antiviral signalling.
Embo Rep., 12, 2011
4N5I
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BU of 4n5i by Molmil
Crystal Structure of a C8-C4 Sn3 Inhibited Esterase B from Lactobacillus Rhamnosis
Descriptor: (2R)-2,3-dibutoxypropyl (R)-octylphosphinate, ACETATE ION, Esterase/lipase
Authors:Colbert, D.A, Bennett, M.D, Lun, D.J, Loo, T.S, Anderson, B.F, Norris, G.E.
Deposit date:2013-10-09
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a C8-C4 Sn3 Inhibited Esterase B from Lactobacillus Rhamnosis
TO BE PUBLISHED
3R4N
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BU of 3r4n by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Descriptor: 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4O
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BU of 3r4o by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Descriptor: 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4P
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BU of 3r4p by Molmil
Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Descriptor: 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4M
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BU of 3r4m by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Descriptor: 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha
Authors:Almassy, R.J.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
8BAX
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BU of 8bax by Molmil
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - azotochelin complex.
Descriptor: Azotochelin, FE (III) ION, Siderophore ABC transporter substrate-binding protein
Authors:Blagova, E.V, Miller, A, Dodson, E.J, Booth, R, Duhme-Klair, A.K, Wilson, K.S.
Deposit date:2022-10-12
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BAW
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BU of 8baw by Molmil
X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - 5-LICAM siderophore analogue complex.
Descriptor: FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), Siderophore ABC transporter substrate-binding protein
Authors:Blagova, E.V, Miller, A, Booth, R, Dodson, E.J, Duhme-Klair, A.K, Wilson, K.S.
Deposit date:2022-10-12
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BF6
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BU of 8bf6 by Molmil
X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - azotochelin complex
Descriptor: ABC transporter, Azotochelin, FE (III) ION, ...
Authors:Wilson, K.S, Duhme-Klair, A.-K, Blagova, E.V, Miller, A, Booth, R, Dodson, E.J.
Deposit date:2022-10-24
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023

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