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6RQD
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BU of 6rqd by Molmil
CYP121 in complex with 3-chloro dicyclotyrosine
分子名称: (3~{S},6~{S})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Poddar, H, Levy, C.
登録日2019-05-15
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6XTA
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BU of 6xta by Molmil
Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide
分子名称: (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Nachon, F, Meden, A, Knez, D, Gobec, S.
登録日2020-01-15
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors.
Eur.J.Med.Chem., 208, 2020
4ZVR
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BU of 4zvr by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor.
分子名称: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
7PC4
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BU of 7pc4 by Molmil
The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC5
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BU of 7pc5 by Molmil
The third PDZ domain of PDZD7 complexed with the PDZ-binding motif of EXOC4
分子名称: CALCIUM ION, Exocyst complex component 4, GLYCEROL, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PCB
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BU of 7pcb by Molmil
The PDZ domain of SNX27 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC8
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BU of 7pc8 by Molmil
The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC7
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BU of 7pc7 by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC9
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BU of 7pc9 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6XSV
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BU of 6xsv by Molmil
X-ray structure of a tetragonal crystal form of alpha amylase from Aspergillus oryzae (Tala-Amylase) at 1.65 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
著者McPherson, A.
登録日2020-07-16
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
7PC3
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BU of 7pc3 by Molmil
The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6XYR
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BU of 6xyr by Molmil
Structure of the T4Lnano fusion protein
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Benoit, R.M, Bierig, T, Collu, C, Engilberge, S, Olieric, V.
登録日2020-01-31
公開日2020-12-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Structure, 30, 2022
4ZVT
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BU of 4zvt by Molmil
Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor.
分子名称: Caspase-7, VEID inhibitor
著者Hardy, J.A, MacPherson, D.J, Hill, M.E.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
6XXU
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BU of 6xxu by Molmil
Solution NMR structure of the native form of UbcH7 (UBE2L3)
分子名称: Ubiquitin-conjugating enzyme E2 L3
著者Marousis, K.D, Seliami, A, Birkou, M, Episkopou, V, Spyroulias, G.A.
登録日2020-01-28
公開日2020-02-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1H,13C,15N backbone and side-chain resonance assignment of the native form of UbcH7 (UBE2L3) through solution NMR spectroscopy.
Biomol.Nmr Assign., 14, 2020
6XXW
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BU of 6xxw by Molmil
Structure of beta-D-Glucuronidase for Dictyoglomus thermophilum.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucuronidase, ...
著者Lafite, P, Daniellou, R.
登録日2020-01-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Thioglycoligation of aromatic thiols using a natural glucuronide donor.
Org.Biomol.Chem., 18, 2020
6RQ1
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BU of 6rq1 by Molmil
CYP121 in complex with 2-methyl dicyclotyrosine
分子名称: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
著者Poddar, H, Levy, C.
登録日2019-05-15
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
6RQB
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BU of 6rqb by Molmil
CYP121 in complex with 3-bromo dicyclotyrosine
分子名称: 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Poddar, H, Levy, C.
登録日2019-05-15
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
3HM7
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BU of 3hm7 by Molmil
Crystal structure of allantoinase from Bacillus halodurans C-125
分子名称: Allantoinase, ZINC ION
著者Patskovsky, Y, Romero, R, Rutter, M, Miller, S, Wasserman, S.R, Sauder, J.M, Raushel, F.M, Burley, S.K, Almo, S.C, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-05-28
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Allantoinase from Bacillus Halodurans
To be Published
6XXY
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BU of 6xxy by Molmil
Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with O-isobutenyl oxalylhydroxamate.
分子名称: 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid, 3-isopropylmalate dehydrogenase, MAGNESIUM ION, ...
著者Miggiano, R, Rossi, F, Martignon, S, Rizzi, M.
登録日2020-01-28
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of Haemophilus influenzae 3-isopropylmalate dehydrogenase (LeuB) in complex with the inhibitor O-isobutenyl oxalylhydroxamate.
Biochem.Biophys.Res.Commun., 524, 2020
6XOF
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BU of 6xof by Molmil
Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16
分子名称: CALCIUM ION, GH16 family protein, GLYCEROL
著者Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F.
登録日2020-07-07
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQH
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BU of 6xqh by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellotriose, presenting a 1,3-beta-D-cellobiosyl-glucose and a cellobiose at active site
分子名称: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQM
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BU of 6xqm by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site
分子名称: CALCIUM ION, GH16 family protein, PHOSPHATE ION, ...
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQG
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BU of 6xqg by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
分子名称: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
著者Liberato, M.V, Squina, F.
登録日2020-07-09
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XDS
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BU of 6xds by Molmil
Crystal structure of MBP-TREM2 Ig domain fusion with fragment, 2-((4-bromophenyl)amino)ethan-1-ol
分子名称: 2-[(4-bromophenyl)amino]ethan-1-ol, DIMETHYL SULFOXIDE, Sugar ABC transporter substrate-binding protein,Triggering receptor expressed on myeloid cells 2, ...
著者Su, H.P.
登録日2020-06-11
公開日2021-02-17
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Development of a robust crystallization platform for immune receptor TREM2 using a crystallization chaperone strategy.
Protein Expr.Purif., 179, 2021
5XV6
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BU of 5xv6 by Molmil
Crystal structure of ATG101-ATG13HORMA
分子名称: Autophagy-related protein 101, Autophagy-related protein 13
著者Kim, B.-W, Song, H.K.
登録日2017-06-26
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation.
Autophagy, 14, 2018

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