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5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
4P31
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BU of 4p31 by Molmil
Crystal structure of a selenomethionine derivative of E. coli LptB in complex with ADP-Magensium
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION
著者Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D.
登録日2014-03-05
公開日2014-03-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
7QTL
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BU of 7qtl by Molmil
Influenza A/H7N9 polymerase elongation complex
分子名称: 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
著者Cusack, S, Kouba, T.
登録日2022-01-14
公開日2022-12-28
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
4PTW
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BU of 4ptw by Molmil
Halothermothrix orenii beta-glucosidase A, 2-deoxy-2-fluoro-glucose complex
分子名称: 2-deoxy-2-fluoro-alpha-D-glucopyranose, Glycoside hydrolase family 1, TETRAETHYLENE GLYCOL
著者Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C.
登録日2014-03-11
公開日2014-09-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
5SX7
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BU of 5sx7 by Molmil
Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-09
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
7QNS
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BU of 7qns by Molmil
Peptide VYEKKP in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-22
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Peptide VYEKKP in complex with human cathepsin V C25S mutant
To Be Published
4ZCW
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BU of 4zcw by Molmil
Structure of Human Enolase 2 in complex with SF2312
分子名称: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
著者Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
登録日2015-04-16
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
4P1J
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BU of 4p1j by Molmil
Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, SAMARIUM (III) ION, ...
著者Bodenheimer, A.B, Cuneo, M.J, Swartz, P.D, Myles, D.A, Meilleur, F.
登録日2014-02-26
公開日2015-03-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
To Be Published
3JY1
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BU of 3jy1 by Molmil
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from C)
分子名称: DNA (5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(3DR)P*GP*GP*CP*TP*T)-3'), alkylpurine DNA glycosylase AlkD
著者Rubinson, E.H, Eichman, B.F.
登録日2009-09-21
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
4P9P
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BU of 4p9p by Molmil
Structure of NavMS in complex with channel blocking compound
分子名称: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2014-04-04
公開日2014-06-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
5G09
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BU of 5g09 by Molmil
The crystal structure of a S-selective transaminase from Bacillus megaterium bound with R-alpha-methylbenzylamine
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
著者van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W.
登録日2016-03-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Biochemistry, 55, 2016
4PA3
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BU of 4pa3 by Molmil
Structure of NavMS in complex with channel blocking compound
分子名称: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2014-04-07
公開日2014-06-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
7K7K
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BU of 7k7k by Molmil
Structure of the EPEC type III secretion injectisome EspA filament
分子名称: Translocon EspA
著者Lyons, B.J.E, Atkinson, C.E, Strynadka, N.C.J.
登録日2020-09-23
公開日2020-12-30
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Cryo-EM structure of the EspA filament from enteropathogenic Escherichia coli: Revealing the mechanism of effector translocation in the T3SS.
Structure, 29, 2021
7QO2
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BU of 7qo2 by Molmil
Peptide GAKSAA in complex with human cathepsin V C25A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-12-23
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Peptide GAKSAA in complex with human cathepsin V C25A mutant
To Be Published
5LI9
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BU of 5li9 by Molmil
Structure of a nucleotide-bound form of PKCiota core kinase domain
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ivanova, M.E, Purkiss, A.G, McDonald, N.Q.
登録日2016-07-14
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Dev.Cell, 38, 2016
6IWB
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BU of 6iwb by Molmil
Crystal structure of a computationally designed protein (LD3) in complex with BCL-2
分子名称: Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION
著者Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
6T2Z
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BU of 6t2z by Molmil
Streptavidin variants harbouring an artificial organocatalyst based cofactor
分子名称: 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
著者Lechner, H, Hocker, B.
登録日2019-10-10
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
7JN1
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BU of 7jn1 by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 3
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-08-03
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4RJK
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BU of 4rjk by Molmil
Acetolactate synthase from Bacillus subtilis bound to LThDP - crystal form II
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, Acetolactate synthase, MAGNESIUM ION, ...
著者Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
登録日2014-10-09
公開日2014-10-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
8CQF
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BU of 8cqf by Molmil
Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis Complexed with Rearranged Acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Skagseth, S, Griese, J.J, Lund, B.A, van der Ent, F, Aqvist, J.
登録日2023-03-06
公開日2023-06-21
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of the temperature optimum of an enzyme reaction.
Sci Adv, 9, 2023
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ...
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
6HK1
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BU of 6hk1 by Molmil
Crystal structure of the Thiazole synthase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ...
著者Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E.
登録日2018-09-05
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
8AD5
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BU of 8ad5 by Molmil
X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ...
著者Fritz, G.
登録日2022-07-07
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
4RJJ
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BU of 4rjj by Molmil
Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form II
分子名称: ACETATE ION, Acetolactate synthase, MAGNESIUM ION, ...
著者Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
登録日2014-10-09
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
7QLB
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BU of 7qlb by Molmil
SMYD3 in complex with fragment FL06268
分子名称: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-20
公開日2023-03-29
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024

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