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6S2X
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BU of 6s2x by Molmil
Crystal structure of the Legionella pneumophila ChiA C-terminal domain
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA
著者Garnett, J.A, Shaw, R.
登録日2019-06-23
公開日2020-04-22
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation.
Plos Pathog., 16, 2020
1SZD
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BU of 1szd by Molmil
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ...
著者Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
登録日2004-04-05
公開日2004-06-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SZC
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BU of 1szc by Molmil
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, CHLORIDE ION, GLYCEROL, ...
著者Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
登録日2004-04-05
公開日2004-06-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
分子名称: BH32.7 protein
著者Levy, C.W.
登録日2021-03-29
公開日2021-11-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
分子名称: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
著者Levy, C.W.
登録日2020-05-13
公開日2021-08-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
分子名称: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
著者Levy, C.W.
登録日2020-05-13
公開日2021-08-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6XTT
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BU of 6xtt by Molmil
Solution structure of Legionella pneumophila NttA
分子名称: NttA
著者Portlock, T.J, Garnett, J.A.
登録日2020-01-16
公開日2020-07-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
6SJT
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BU of 6sjt by Molmil
Crystal structure of the Legionella pneumophila type II secretion system substrate NttC
分子名称: NttC
著者Portlock, T.J, Rehman, S, Garnett, J.A.
登録日2019-08-13
公開日2020-05-20
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
6SKW
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BU of 6skw by Molmil
Crystal structure of the Legionella pneumophila type II secretion system substrate NttE
分子名称: 1,2-ETHANEDIOL, NttE
著者Portlock, T.J, Rehman, S, Garnett, J.A.
登録日2019-08-16
公開日2020-05-20
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
8Q4E
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BU of 8q4e by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain
分子名称: HbP1
著者Rehman, S, Garnett, J.A.
登録日2023-08-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
8QK8
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BU of 8qk8 by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain bound to sulphate
分子名称: HbP1, SULFATE ION
著者Rehman, S, Garnett, J.A.
登録日2023-09-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
8BP0
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BU of 8bp0 by Molmil
Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction
分子名称: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL
著者Hardy, F.J.
登録日2022-11-15
公開日2024-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
8BP1
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BU of 8bp1 by Molmil
Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction
分子名称: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ...
著者Hardy, F.J.
登録日2022-11-15
公開日2024-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme.
Nat Commun, 15, 2024
7ZP7
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BU of 7zp7 by Molmil
Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product
分子名称: (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C
著者Hardy, F.J, Levy, C.
登録日2022-04-26
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
7ZP6
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BU of 7zp6 by Molmil
Crystal structure of evolved photoenzyme EnT1.3
分子名称: Diisopropyl-fluorophosphatase
著者Hardy, F.J, Levy, C.
登録日2022-04-26
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
7ZP5
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BU of 7zp5 by Molmil
Crystal structure of designed photoenzyme EnT1.0
分子名称: Diisopropyl-fluorophosphatase, PHOSPHATE ION
著者Hardy, F.J, Levy, C.
登録日2022-04-26
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
4L4T
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BU of 4l4t by Molmil
Structure of human MAIT TCR in complex with human MR1-6-FP
分子名称: 2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde, Beta-2-microglobulin, MAIT T-cell receptor alpha chain, ...
著者Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
登録日2013-06-09
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
4L4V
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BU of 4l4v by Molmil
Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
分子名称: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
登録日2013-06-09
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
4L3C
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BU of 4l3c by Molmil
Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
登録日2013-06-05
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
4L29
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BU of 4l29 by Molmil
Structure of wtMHC class I with NY-ESO1 double mutant
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S.
登録日2013-06-04
公開日2013-12-25
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
1ERP
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BU of 1erp by Molmil
NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE PHEROMONE ER-10 FROM THE CILIATED PROTOZOAN EUPLOTES RAIKOVI
分子名称: PHEROMONE ER-10
著者Brown, L.R, Mronga, S, Bradshaw, R, Ortenzi, C, Luporini, P, Wuthrich, K.
登録日1992-12-02
公開日1993-10-31
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance solution structure of the pheromone Er-10 from the ciliated protozoan Euplotes raikovi.
J.Mol.Biol., 231, 1993
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Ortmayer, M, Levy, C.
登録日2022-12-29
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
6UVC
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BU of 6uvc by Molmil
Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVD
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Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
分子名称: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6Q7P
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BU of 6q7p by Molmil
Crystal structure of OE1.2
分子名称: 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ...
著者Levy, C.W.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019

 

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