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6SQR
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BU of 6sqr by Molmil
Crystal structure of Cat MDM2-S429E RING domain bound to UbcH5B-Ub
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, NITRATE ION, ...
著者Magnussen, H.M, Ahmed, S.F, Huang, D.T.
登録日2019-09-04
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis for DNA damage-induced phosphoregulation of MDM2 RING domain.
Nat Commun, 11, 2020
9GWV
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BU of 9gwv by Molmil
Crystal structure of sulfoquinovose-1-dehydrogenase from Pseudomonas Putida in complex with NAD+ (sulfo-ED pathway)
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sulfoquinovose 1-dehydrogenase
著者Sharma, M, Davies, G.J.
登録日2024-09-27
公開日2025-02-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure, kinetics, and mechanism of Pseudomonas putida sulfoquinovose dehydrogenase, the first enzyme in the sulfoglycolytic Entner-Doudoroff pathway.
Biochem.J., 482, 2025
6H6M
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BU of 6h6m by Molmil
CR10 murine norovirus protruding domain in complex with the CD300lf receptor and glycochenodeoxycholate (GCDCA)
分子名称: 1,2-ETHANEDIOL, CMRF35-like molecule 1, Capsid protein, ...
著者Kilic, T, Hansman, G.S.
登録日2018-07-27
公開日2019-08-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structures of murine norovirus protruding domain with conjugated bile acid reveal a novel binding pocket.
To Be Published
9GRN
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BU of 9grn by Molmil
Crystal structure of the engineered C-terminal phosphatase domain from Saccharomyces cerevisiae Vip1 (apo, loop deletion residues 848-918)
分子名称: ACETATE ION, GLYCEROL, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
著者Raia, P, Lee, K, Hothorn, M.
登録日2024-09-11
公開日2025-02-26
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A small signaling domain controls PPIP5K phosphatase activity in phosphate homeostasis.
Nat Commun, 16, 2025
6T60
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BU of 6t60 by Molmil
Crystal structure of Acinetobacter baumannii FabG at 1.66 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6E53
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BU of 6e53 by Molmil
Structure of TERT in complex with a novel telomerase inhibitor
分子名称: MAGNESIUM ION, RNA/DNA hairpin, Telomerase reverse transcriptase, ...
著者Hernandez-Sanchez, W, Huang, W, Plucinsky, B, Garcia-Vazquez, N, Berdis, A.J, Skordalakes, E, Taylor, D.J.
登録日2018-07-19
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A non-natural nucleotide uses a specific pocket to selectively inhibit telomerase activity.
Plos Biol., 17, 2019
6GMR
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BU of 6gmr by Molmil
pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol
分子名称: (4-pyrrol-1-ylphenyl)methanol, Elongin-B, Elongin-C, ...
著者Van Molle, I, Lucas, X, Ciulli, A.
登録日2018-05-28
公開日2018-08-08
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
分子名称: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
登録日2018-07-20
公開日2019-01-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
6GVZ
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BU of 6gvz by Molmil
GII.1 human norovirus protruding domain in complex with glycochenodeoxycholate (GCDCA)
分子名称: Capsid protein VP1, GLYCOCHENODEOXYCHOLIC ACID
著者Kilic, T, Hansman, G.S.
登録日2018-06-21
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural Basis for Human Norovirus Capsid Binding to Bile Acids.
J. Virol., 93, 2019
8UZE
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BU of 8uze by Molmil
Crystal structure of chimeric bat coronavirus BANAL-20-236 RBD complexed with chimeric mouse ACE2
分子名称: 1,2-ETHANEDIOL, 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Zhang, W, Shi, K, Aihara, H, Li, F.
登録日2023-11-15
公開日2024-07-24
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural basis for mouse receptor recognition by bat SARS2-like coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
6HIV
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BU of 6hiv by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete mitoribosome
分子名称: 12S rRNA, 50S ribosomal protein L13, putative, ...
著者Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boerhringer, D, Schneider, A, Ban, N.
登録日2018-08-31
公開日2018-10-03
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
4Y88
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BU of 4y88 by Molmil
Crystal structure of the N-terminal domain of CEACAM8
分子名称: 1,3-PROPANDIOL, CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 8, ...
著者Bonsor, D.A, Sundberg, E.J.
登録日2015-02-16
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Diverse oligomeric states of CEACAM IgV domains.
Proc.Natl.Acad.Sci.USA, 112, 2015
1N4V
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BU of 1n4v by Molmil
ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @pH 5.8 (STREPTOMYCES SP. SA-COO)
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
著者Vrielink, A, Lario, P.I.
登録日2002-11-01
公開日2004-04-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment
Nat.Chem.Biol., 2, 2006
5NAJ
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BU of 5naj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-1]-[ProM-1]-OH
分子名称: (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, CHLORIDE ION, ...
著者Barone, M, Roske, Y.
登録日2017-02-28
公開日2017-05-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TGW
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BU of 6tgw by Molmil
Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with a selective inhibitor
分子名称: Aldehyde dehydrogenase family 1 member A3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
著者Garavaglia, S, Rizzi, M.
登録日2019-11-18
公開日2021-06-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A specific inhibitor of ALDH1A3 regulates retinoic acid biosynthesis in glioma stem cells.
Commun Biol, 4, 2021
3II4
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BU of 3ii4 by Molmil
Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
著者Lima, C.D.
登録日2009-07-31
公開日2010-01-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase .
Biochemistry, 49, 2010
9EVK
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BU of 9evk by Molmil
Crystal Structure of human Collagen Hydroxylysine Galactosyltransferase GLT25D1/COLGALT1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者De Marco, M, Scietti, L, Rai, S.R, Mattoteia, D, Pinnola, A, Forneris, F.
登録日2024-03-30
公開日2025-04-09
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular structure and enzymatic mechanism of the human collagen hydroxylysine galactosyltransferase GLT25D1/COLGALT1.
Nat Commun, 16, 2025
9EVJ
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BU of 9evj by Molmil
Crystal Structure of human Collagen Hydroxylysine Galactosyltransferase GLT25D1/COLGALT1: complex with Mn2+ and UDP-Gal
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者De Marco, M, Scietti, L, Rai, S.R, Mattoteia, D, Pinnola, A, Forneris, F.
登録日2024-03-30
公開日2025-04-09
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular structure and enzymatic mechanism of the human collagen hydroxylysine galactosyltransferase GLT25D1/COLGALT1.
Nat Commun, 16, 2025
9EVL
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BU of 9evl by Molmil
Crystal Structure of human Collagen Hydroxylysine Galactosyltransferase GLT25D1/COLGALT1: Hg2+ soak for experimental phasing
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者De Marco, M, Scietti, L, Rai, S.R, Mattoteia, D, Pinnola, A, Forneris, F.
登録日2024-03-30
公開日2025-04-09
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular structure and enzymatic mechanism of the human collagen hydroxylysine galactosyltransferase GLT25D1/COLGALT1.
Nat Commun, 16, 2025
8JE0
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BU of 8je0 by Molmil
A novel amidohydrolase
分子名称: 1,2-ETHANEDIOL, Amidase, ZINC ION
著者Ma, D, Feng, R.
登録日2023-05-15
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A novel amidohydrolase catalyze the degradation of PAM by Klebsiella sp. PCX
To Be Published
9BQE
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BU of 9bqe by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Young, K.Y, Fanning, S.W.
登録日2024-05-09
公開日2024-06-19
最終更新日2025-01-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Targeting unique ligand binding domain structural features downregulates DKK1 in Y537S ESR1 mutant breast cancer cells.
Breast Cancer Res, 27, 2025
9BU1
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BU of 9bu1 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-((1-propylazetidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Young, K.S, Fanning, S.W.
登録日2024-05-16
公開日2024-06-19
最終更新日2025-01-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Targeting unique ligand binding domain structural features downregulates DKK1 in Y537S ESR1 mutant breast cancer cells.
Breast Cancer Res, 27, 2025
5D6M
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BU of 5d6m by Molmil
Mn(II)-loaded MnCcP.1
分子名称: Cytochrome c peroxidase, mitochondrial, MANGANESE (II) ION, ...
著者Robinson, H, Gao, Y.-G, Hosseinzadeh, P, Lu, Y.
登録日2015-08-12
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome c Peroxidase through Fine-Tuning Secondary-Sphere Interactions.
Biochemistry, 55, 2016
7Y0R
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BU of 7y0r by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Jiang, Y, Dong, S, Feng, Y, Cong, Z.
登録日2022-06-06
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
To Be Published
5A5W
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Crystal structure of Salmonella enterica HisA D7N D176A with ProFAR
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
著者Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
登録日2015-06-23
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015

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