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7Q8Z
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Crystal structure of TTBK2 in complex with VNG1.33 (compound 27)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
6UM3
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BU of 6um3 by Molmil
Structure of Zika virus NS2b-NS3 protease mutant stabilizing the super-open conformation
分子名称: 1,2-ETHANEDIOL, NS2B-NS3 PROTEASE fusion
著者Aleshin, A.E, Shiryaev, S.A, Liddington, R.C.
登録日2019-10-08
公開日2020-02-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Zika virus NS2b-NS3 protease mutant stabilizing the super-open conformation
To Be Published
7Q90
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BU of 7q90 by Molmil
Crystal structure of TTBK2 in complex with VNG1.63 (compound 32)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
7MW0
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BU of 7mw0 by Molmil
Crystal structure of Homo sapiens NUP93 solenoid (residues 174-819)
分子名称: 1,2-ETHANEDIOL, Nuclear pore complex protein Nup93
著者Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A.
登録日2021-05-15
公開日2022-06-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
8OVS
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BU of 8ovs by Molmil
Crystal structure of YeGT glycosyltransferase with bound UDP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
著者Wirth, C, Hunte, C.
登録日2023-04-26
公開日2024-05-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献Tyrosine-modifying glycosylation by Yersinia effectors.
J.Biol.Chem., 300, 2024
7M49
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DNA Polymerase Lambda, TTP:At Mn2+ Reaction State Ternary Complex, 5 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
5YRB
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BU of 5yrb by Molmil
Crystal Structure of Oxidized Cypovirus Polyhedra R13A/E73C/Y83C/S193C/A194C Mutant
分子名称: 1,2-ETHANEDIOL, Polyhedrin
著者Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
登録日2017-11-09
公開日2018-02-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
6XSX
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BU of 6xsx by Molmil
The structure of the catalytic module of the metalloprotease ZmpA from Clostridium perfringens
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ZmpA Glycopeptidase
著者Pluvinage, B, Boraston, A.B.
登録日2020-07-16
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
8IBS
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BU of 8ibs by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose
分子名称: Beta-galactosidase, alpha-D-galactopyranose
著者Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
登録日2023-02-10
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
7M43
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BU of 7m43 by Molmil
DNA Polymerase Lambda, TTP:At Ca2+ Ground State Ternary Complex
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
8X2S
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BU of 8x2s by Molmil
The Crystal Structure of BPGM from Biortus
分子名称: 1,2-ETHANEDIOL, Bisphosphoglycerate mutase
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
登録日2023-11-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of BPGM from Biortus
To Be Published
7M44
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BU of 7m44 by Molmil
DNA Polymerase Lambda, TTP:At Mg2+ Reaction State Ternary Complex, 90 sec
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7QSY
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BU of 7qsy by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
9CXR
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BU of 9cxr by Molmil
X-ray Crystallographic Structure of the Poly(Hexamethylene Adipamide) (Nylon66) Hydrolase Nyl50 at Room Temperature
分子名称: 1,2-ETHANEDIOL, Poly(hexamethylene adipamide) hydrolase, SODIUM ION, ...
著者Meilleur, F, Williams, A.N, Drufva, E.E, Parks, J.M, Chen, S.H, Michener, J.K.
登録日2024-07-31
公開日2025-01-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and characterization of substrate- and product-selective nylon hydrolases.
Biorxiv, 2024
7QSZ
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BU of 7qsz by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
著者Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
登録日2022-01-14
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
6B4E
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BU of 6b4e by Molmil
Crystal structure of Saccharomyces cerevisiae Gle1 CTD-Nup42 GBM complex
分子名称: 1,2-ETHANEDIOL, Nucleoporin GLE1, Nucleoporin NUP42, ...
著者Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A.
登録日2017-09-26
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional analysis of mRNA export regulation by the nuclear pore complex.
Nat Commun, 9, 2018
8AHQ
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BU of 8ahq by Molmil
VirD/holo-ACP5b of Streptomyces virginiae complex
分子名称: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ...
著者Collin, S, Gruez, A.
登録日2022-07-22
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
8XB9
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BU of 8xb9 by Molmil
The Crystal Structure of polo-box domain of PLK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1
著者Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B.
登録日2023-12-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of polo-box domain of PLK1 from Biortus
To Be Published
8AHZ
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BU of 8ahz by Molmil
Native VirD of Streptomyces virginiae
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase, ...
著者Collin, S, Gruez, A.
登録日2022-07-25
公開日2023-03-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
7RHC
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BU of 7rhc by Molmil
A new fluorescent protein darkmRuby at pH 9.0
分子名称: 1,2-ETHANEDIOL, darkmRuby
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
8X23
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BU of 8x23 by Molmil
The Crystal Structure of MAPK13 from Biortus.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
登録日2023-11-09
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Crystal Structure of MAPK13 from Biortus.
To Be Published
8I6B
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BU of 8i6b by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I
分子名称: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8RZC
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SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11
分子名称: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-imidazol-1-yl-benzoic acid, ...
著者Kalnins, G.
登録日2024-02-12
公開日2024-02-21
最終更新日2025-01-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for Inhibition of the SARS-CoV-2 nsp16 by Substrate-Based Dual Site Inhibitors.
Chemmedchem, 19, 2024
8FTJ
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Crystal structure of human NEIL1 (P2G (242K) C(delta)100) glycosylase bound to DNA duplex containing urea
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*TP*CP*CP*AP*UDV*GP*TP*CP*TP*AP*CP)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*GP*G)-3'), ...
著者Tomar, R, Sharma, P, Harp, J.M, Egli, M, Stone, M.P.
登録日2023-01-12
公開日2023-04-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Base excision repair of the N-(2-deoxy-d-erythro-pentofuranosyl)-urea lesion by the hNEIL1 glycosylase.
Nucleic Acids Res., 51, 2023

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