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5SNU
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BU of 5snu by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO8
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BU of 5so8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOA
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BU of 5soa by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
Descriptor: (2R)-4-(1H-pyrazol-1-yl)butan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNX
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BU of 5snx by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1267881672
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-L-prolinamide, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SN6
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BU of 5sn6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SNN
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BU of 5snn by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
5SOB
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BU of 5sob by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2204875953
Descriptor: (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Brenk, R, Georgiou, C.
Deposit date:2022-05-30
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
Chemrxiv, 2023
1YL1
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BU of 1yl1 by Molmil
Effect of alcohols on protein hydration
Descriptor: Lysozyme C, SODIUM ION, TRIFLUOROETHANOL
Authors:Deshpande, A.A, Nimsadkar, S, Mande, S.C.
Deposit date:2005-01-18
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
8I3Y
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BU of 8i3y by Molmil
Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
Descriptor: CALCIUM ION, SUCCINIC ACID, SUCCINYL-COENZYME A, ...
Authors:Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T.
Deposit date:2023-01-18
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
To Be Published
3ITU
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BU of 3itu by Molmil
hPDE2A catalytic domain complexed with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ...
Authors:Pandit, J.
Deposit date:2009-08-28
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct.
Proc.Natl.Acad.Sci.USA, 106, 2009
3I9S
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BU of 3i9s by Molmil
Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
Descriptor: CHLORIDE ION, Integron cassette protein, SULFATE ION
Authors:Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-13
Release date:2009-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
To be Published
6HN9
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BU of 6hn9 by Molmil
Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain
Descriptor: Nicomicin-1
Authors:Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V.
Deposit date:2018-09-14
Release date:2018-11-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain.
Mar Drugs, 16, 2018
6ELC
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BU of 6elc by Molmil
Crystal Structure of O-linked Glycosylated VSG3
Descriptor: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stebbins, C.E.
Deposit date:2017-09-28
Release date:2018-07-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:African trypanosomes evade immune clearance by O-glycosylation of the VSG surface coat.
Nat Microbiol, 3, 2018
6RRV
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BU of 6rrv by Molmil
Crystal structure of the Sir4 H-BRCT domain
Descriptor: BROMIDE ION, CHLORIDE ION, Regulatory protein SIR4
Authors:Deshpande, I, Keusch, J.J, Challa, K, Iesmantavicius, V, Gasser, S.M, Gut, H.
Deposit date:2019-05-20
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Sir4 H-BRCT domain interacts with phospho-proteins to sequester and repress yeast heterochromatin.
Embo J., 38, 2019
6RTK
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BU of 6rtk by Molmil
CryoEM structure of modified Turnip Yellows Virus devoid of minor capsid protein readthrough domain
Descriptor: Major capsid protein
Authors:Trapani, S, Lai Kee Him, J, Hoh, F, Brault, V, Bron, P.
Deposit date:2019-05-24
Release date:2020-07-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:CryoEM structure of modified Turnip Yellows Virus devoid of minor capsid protein readthrough domain
To Be Published
3JWO
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BU of 3jwo by Molmil
Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D Heavy CHAIN, FAB 48D LIGHT CHAIN, ...
Authors:Pancera, M, Majeed, S, Huang, C.C, Kwon, Y.D, Zhou, T, Robinson, J.E, Sodroski, J, Wyatt, R, Kwong, P.D.
Deposit date:2009-09-18
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility.
Proc.Natl.Acad.Sci.USA, 107, 2010
3J9L
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BU of 3j9l by Molmil
Structure of Dark apoptosome from Drosophila melanogaster
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK
Authors:Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y.
Deposit date:2015-02-04
Release date:2015-02-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
2WLS
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BU of 2wls by Molmil
Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Pang, Y.P, Ekstrom, F, Polsinelli, G.A, Gao, Y, Rana, S, Hua, D.H, Andersson, B, Andersson, P.O, Peng, L, Singh, S.K, Mishra, R.K, Zhu, K.Y, Fallon, A.M, Ragsdale, D.W, Brimijoin, S.
Deposit date:2009-06-25
Release date:2009-09-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective and Irreversible Inhibitors of Mosquito Acetylcholinesterases for Controlling Malaria and Other Mosquito-Borne Diseases.
Plos One, 4, 2009
6SW6
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BU of 6sw6 by Molmil
Crystal structure R264H mutant of the human S-adenosylmethionine synthetase 1
Descriptor: S-adenosylmethionine synthase isoform type-1
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-09-19
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
2ER7
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BU of 2er7 by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES.III. THREE-DIMENSIONAL STRUCTURE OF ENDOTHIAPEPSIN COMPLEXED WITH A TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: ENDOTHIAPEPSIN, SULFATE ION, TRANSITION-STATE ISOSTERE INHIBITOR OF RENIN
Authors:Veerapandian, B, Cooper, J.B, Szelke, M, Blundell, T.L.
Deposit date:1990-11-12
Release date:1991-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
J.Mol.Biol., 216, 1990
6SW5
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BU of 6sw5 by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-1
Authors:Panmanee, J, Antoyuk, S.V, Hasnain, S.S.
Deposit date:2019-09-19
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
7UV9
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BU of 7uv9 by Molmil
KDM2A-nucleosome structure stabilized by H3K36C-UNC8015 covalent conjugate
Descriptor: DNA (185-MER), FE (III) ION, Histone H2A type 1, ...
Authors:Spangler, C.J, Skrajna, A, Foley, C.A, Budziszewski, G.R, Azzam, D.N, James, L.I, Frye, S.V, McGinty, R.K.
Deposit date:2022-04-29
Release date:2023-02-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
6SYN
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BU of 6syn by Molmil
Crystal structure of Y. pestis penicillin-binding protein 3
Descriptor: (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-09-30
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The structure of penicillin-binding protein 3 from Yersinia pestis
To Be Published
8I40
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BU of 8i40 by Molmil
Crystal structure of ASCT from Trypanosoma brucei in complex with CoA.
Descriptor: ACETATE ION, CALCIUM ION, COENZYME A, ...
Authors:Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T.
Deposit date:2023-01-18
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT.
To Be Published

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数据于2024-10-16公开中

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