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6SOC
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BU of 6soc by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 1-5
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-29
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (9 Å)
Cite:BamABCDE in MSP1D1 nanodisc ensemble 1-5
To Be Published
6SO8
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BU of 6so8 by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 1-3
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-29
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:BamABCDE in MSP1D1 nanodisc ensemble 1-3
To Be Published
6SMX
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BU of 6smx by Molmil
BamABCDE in MSP1D1 nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-23
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.65 Å)
Cite:BamABCDE in MSP1D1 nanodisc
To Be Published
6SN4
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BU of 6sn4 by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 0-4
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-23
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:BamABCDE in MSP1D1 nanodisc ensemble 0-4
To Be Published
6SOA
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BU of 6soa by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 0-9
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-29
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:BamABCDE in MSP1D1 nanodisc ensemble 0-9
To Be Published
6SN7
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BU of 6sn7 by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 0-6
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
Deposit date:2019-08-23
Release date:2021-03-31
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.9 Å)
Cite:BamABCDE in MSP1D1 nanodisc ensemble 0-6
To Be Published
3FBW
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BU of 3fbw by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y
Descriptor: BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dohnalek, J, Stsiapanava, A, Gavira, J.A, Kuta Smatanova, I, Kuty, M.
Deposit date:2008-11-20
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
2N0F
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BU of 2n0f by Molmil
NMR structure of Neuromedin C in 60% TFE
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
6N9J
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BU of 6n9j by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
Descriptor: Clostripain-related protein, Covalently bound peptide inhibitor
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-12-03
Release date:2019-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6MGO
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BU of 6mgo by Molmil
Structure of rabbit actin in complex with Mycalolide B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Allingham, J.S, Trofimova, D.
Deposit date:2018-09-14
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix.
J.Am.Chem.Soc., 2021
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
6SSO
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BU of 6sso by Molmil
EDN mutant L45H
Descriptor: ACETATE ION, Non-secretory ribonuclease
Authors:Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E.
Deposit date:2019-09-08
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.211 Å)
Cite:Structural and functional characterization of new family enzymes derivates from human RNase 1 and 3 with antimicrobial and ribonuclease activity
To Be Published
3FFI
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BU of 3ffi by Molmil
HIV-1 RT with pyridone non-nucleoside inhibitor
Descriptor: 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-12-03
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
To be Published
6MI7
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BU of 6mi7 by Molmil
Nucleotide-free Cryo-EM Structure of E.coli LptB2FGC
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ...
Authors:Orlando, B.J, Li, Y, Liao, M.
Deposit date:2018-09-19
Release date:2019-04-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of lipopolysaccharide extraction by the LptB2FGC complex.
Nature, 567, 2019
2MP8
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BU of 2mp8 by Molmil
NMR structure of NKR-5-3B
Descriptor: NKR-5-3B
Authors:Rosengren, K.J, Craik, D.J.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Identification, Characterization, and Three-Dimensional Structure of the Novel Circular Bacteriocin, Enterocin NKR-5-3B, from Enterococcus faecium
Biochemistry, 54, 2015
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
4C9X
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BU of 4c9x by Molmil
Crystal structure of NUDT1 (MTH1) with S-crizotinib
Descriptor: 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
6T32
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BU of 6t32 by Molmil
Streptavidin variants harbouring an artificial organocatalyst based cofactor
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin
Authors:Lechner, H, Hocker, B.
Deposit date:2019-10-10
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
6MML
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BU of 6mml by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the '2-Knuckle-Asymmetric' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-09-30
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (7.14 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
6MMP
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BU of 6mmp by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the '2-Knuckle-Symmetric' conformation, in complex with glycine and glutamate, in the presence of 0.1 millimolar EDTA, and at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-10-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.88 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
6T2B
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BU of 6t2b by Molmil
Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
Deposit date:2019-10-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
6T36
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BU of 6t36 by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide
Descriptor: BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C.
Deposit date:2019-10-10
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein.
Sci Rep, 11, 2021
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
Descriptor: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
Authors:Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2013-09-10
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
6T6R
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BU of 6t6r by Molmil
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
Descriptor: (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ...
Authors:Rowland, P.
Deposit date:2019-10-18
Release date:2020-03-18
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
4C74
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BU of 4c74 by Molmil
Phenylacetone monooxygenase: Reduced enzyme in complex with APADP
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, ...
Authors:Martinoli, C, Fraaije, M.W, Mattevi, A.
Deposit date:2013-09-19
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Beyond the Protein Matrix: Probing Cofactor Variants in a Baeyer-Villiger Oxygenation Reaction.
Acs Catal., 3, 2013

225946

数据于2024-10-09公开中

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