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6CUN
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BU of 6cun by Molmil
Engineered Cytochrome c from Rhodothermus marinus (Rma TDE) bound to carbene intermediate (1-ethoxy-1-oxopropan-2-ylidene)
分子名称: Cytochrome c, ETHYL PROPIONATE, HEME C
著者Lewis, R.D, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CXK
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BU of 4cxk by Molmil
G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-07
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5HHT
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BU of 5hht by Molmil
Crystal structure of E. coli transketolase triple variant Ser385Tyr/Asp469Thr/Arg520Gln
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
著者Dai, S, Tittmann, K.
登録日2016-01-11
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of an Evolved Transketolase Reveals Divergent Binding Modes.
Sci Rep, 6, 2016
2ZNI
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BU of 2zni by Molmil
Crystal structure of Pyrrolysyl-tRNA synthetase-tRNA(Pyl) complex from Desulfitobacterium hafniense
分子名称: CALCIUM ION, Pyrrolysyl-tRNA synthetase, bacterial tRNA
著者Nozawa, K, Araiso, Y, Soll, D, Ishitani, R, Nureki, O.
登録日2008-04-25
公開日2008-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Pyrrolysyl-tRNA synthetase-tRNA(Pyl) structure reveals the molecular basis of orthogonality
Nature, 457, 2009
6AH7
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BU of 6ah7 by Molmil
D45W/H226G mutant of marine bacterial prolidase
分子名称: MANGANESE (II) ION, SODIUM ION, SULFATE ION, ...
著者Jian, Y, Yunzhu, X, Lijuan, L.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
6AH8
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Marine bacterial prolidase with promiscuous organophosphorus hydrolase activity
分子名称: MANGANESE (II) ION, SULFATE ION, Xaa-Pro dipeptidase
著者Jian, Y.
登録日2018-08-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity.
Biotechnol.Bioeng., 117, 2020
2ZNJ
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BU of 2znj by Molmil
Crystal structure of Pyrrolysyl-tRNA synthetase from Desulfitobacterium hafniense
分子名称: Putative uncharacterized protein
著者Nozawa, K, Araiso, Y, Soll, D, Ishitani, R, Nureki, O.
登録日2008-04-25
公開日2008-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pyrrolysyl-tRNA synthetase-tRNA(Pyl) structure reveals the molecular basis of orthogonality
Nature, 457, 2009
5OOY
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BU of 5ooy by Molmil
Designed Ankyrin Repeat Protein (DARPin) VHAH-1 in complex with Lysozyme
分子名称: DARPin VHAH-1, Lysozyme C
著者Hogan, B.J, Fischer, G, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-09
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) VHAH-1 in complex with Lysozyme
To be published
4V1D
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BU of 4v1d by Molmil
Ternary complex among two human derived single chain antibody fragments and Cn2 toxin from scorpion Centruroides noxius.
分子名称: BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN, ...
著者Riano-Umbarila, L, Serrano-Posada, H, Rojas-Trejo, S, Rudino-Pinera, E, Becerril, B.
登録日2014-09-25
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Optimal Neutralization of Centruroides Noxius Venom is Understood Through a Structural Complex between Two Antibody Fragments and the Cn2 Toxin.
J.Biol.Chem., 291, 2016
5OP1
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BU of 5op1 by Molmil
Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme
分子名称: CHLORIDE ION, DARPin A4, Lysozyme C
著者Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-09
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme
To be published
5OOV
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BU of 5oov by Molmil
Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme
分子名称: DARPin ETVD-1, Lysozyme C
著者Houlihan, G, Fischer, G, Hogan, B.J, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
登録日2017-08-08
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.365 Å)
主引用文献Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme
To be published
4UUI
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BU of 4uui by Molmil
A case study for twinned data analysis: multiple crystal forms of the enzyme N-acetyl-neuraminic lyase
分子名称: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID, ...
著者Campeotto, I, Phillips, S.E.V, Pearson, A.R.
登録日2014-07-29
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Case Study for Twinned Data Analysis: Multiple Crystal Forms of the Enzyme N-Acetyl-Neuraminic Lyase
To be Published
8AH9
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BU of 8ah9 by Molmil
De novo retro-aldolase RAbetaB-16.1
分子名称: BENZOIC ACID, RAbetaB-16.1
著者Mittl, P, Oualb Chaib, A, Hilvert, D.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
5W6Q
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BU of 5w6q by Molmil
Structural basis for recognition of artificial DNA by an evolved KlenTaq variant
分子名称: DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(1W5))-3'), DNA (5'-D(P*GP*(1WA)P*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA polymerase I, ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
5W6K
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BU of 5w6k by Molmil
Structure of mutant Taq Polymerase incorporating unnatural base pairs Z:P
分子名称: (1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA (5'-D(P*(1WA)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
2V20
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BU of 2v20 by Molmil
Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. Complex with sulfate.
分子名称: BETA-LACTAMASE TEM, SULFATE ION, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
2V1Z
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BU of 2v1z by Molmil
Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions.
分子名称: BETA-LACTAMASE TEM, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
5EXU
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BU of 5exu by Molmil
Reversibly photoswitching protein Dathail, Ensemble refinement
分子名称: Reversibly photoswitching protein Dathail
著者Close, D.W, Langan, P.S, Bradbury, A.R.M.
登録日2015-11-24
公開日2016-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-15
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
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
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
6XLR
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BU of 6xlr by Molmil
The 1.23 Angstrom crystal structure of galactose oxidase variant with genetically incorporated Cl2-Tyr272
分子名称: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
著者Liu, A, Li, J.
登録日2020-06-29
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Formation of Monofluorinated Radical Cofactor in Galactose Oxidase through Copper-Mediated C-F Bond Scission.
J.Am.Chem.Soc., 142, 2020
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
6AML
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BU of 6aml by Molmil
Phosphotriesterase variant S8
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-08-09
公開日2018-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Phosphotriesterase variant S8
To Be Published
6UBH
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BU of 6ubh by Molmil
Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide
分子名称: Erbin, SODIUM ION, peptide
著者Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S.
登録日2019-09-11
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021

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