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4XPR
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BU of 4xpr by Molmil
Crystal structure of the mutant D365A of Pedobacter saltans GH31 alpha-galactosidase
分子名称: 1,2-ETHANEDIOL, Alpha-glucosidase
著者Miyazaki, T, Ishizaki, Y, Ichikawa, M, Nishikawa, A, Tonozuka, T.
登録日2015-01-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and biochemical characterization of novel bacterial alpha-galactosidases belonging to glycoside hydrolase family 31
Biochem.J., 469, 2015
6WJ7
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BU of 6wj7 by Molmil
The structure of NTMT1 in complex with compound C2A
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, GLY-PRO-LYS-ARG-ILE-ALA-NH2, N-terminal Xaa-Pro-Lys N-methyltransferase 1
著者Srinivasan, K, Chen, D, Huang, R, Noinaj, N.
登録日2020-04-13
公開日2020-08-19
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
7PQ0
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BU of 7pq0 by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B
分子名称: Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I
著者Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
登録日2021-09-15
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
6XIM
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BU of 6xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
分子名称: D-XYLOSE ISOMERASE, D-xylose, MAGNESIUM ION
著者Janin, J.
登録日1992-04-03
公開日1993-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
著者Raymond, D.D, Chug, H, Harrison, S.C.
登録日2020-06-08
公開日2020-12-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6X9H
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BU of 6x9h by Molmil
Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1)
分子名称: 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ...
著者Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M.
登録日2020-06-02
公開日2020-12-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
6WBL
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BU of 6wbl by Molmil
Cryo-EM structure of human Pannexin 1 channel with deletion of N-terminal helix and C-terminal tail, in complex with CBX
分子名称: CARBENOXOLONE, Pannexin-1
著者Lu, W, Du, J, Ruan, Z.
登録日2020-03-26
公開日2020-06-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.13 Å)
主引用文献Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
分子名称: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
著者Wielens, J, Chalmers, D.K.
登録日2015-02-07
公開日2015-02-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
6OZ5
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BU of 6oz5 by Molmil
Escherichia coli tRNA synthetase in complex with compound 3
分子名称: 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
4XPS
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BU of 4xps by Molmil
Crystal structure of the mutant D365A of Pedobacter saltans GH31 alpha-galactosidase complexed with p-nitrophenyl-alpha-galactopyranoside
分子名称: 1,2-ETHANEDIOL, Alpha-glucosidase, P-NITROPHENOL, ...
著者Miyazaki, T, Ishizaki, Y, Ichikawa, M, Nishikawa, A, Tonozuka, T.
登録日2015-01-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical characterization of novel bacterial alpha-galactosidases belonging to glycoside hydrolase family 31
Biochem.J., 469, 2015
8RF9
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BU of 8rf9 by Molmil
CgsiGP1 sample in nanodisc
分子名称: Cyclic beta 1-2 glucan synthetase
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
4Y1N
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BU of 4y1n by Molmil
Oceanobacillus iheyensis group II intron domain 1 with iridium hexamine
分子名称: IRIDIUM HEXAMMINE ION, MAGNESIUM ION, POTASSIUM ION, ...
著者Zhao, C, Rajashankar, K.R, Marcia, M, Pyle, A.M.
登録日2015-02-08
公開日2015-10-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of group II intron domain 1 reveals a template for RNA assembly.
Nat.Chem.Biol., 11, 2015
4Y2S
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BU of 4y2s by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
分子名称: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4XIM
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BU of 4xim by Molmil
PROTEIN ENGINEERING OF XYLOSE (GLUCOSE) ISOMERASE FROM ACTINOPLANES MISSOURIENSIS. 1. CRYSTALLOGRAPHY AND SITE-DIRECTED MUTAGENESIS OF METAL BINDING SITES
分子名称: COBALT (II) ION, D-XYLOSE ISOMERASE
著者Janin, J.
登録日1992-03-11
公開日1993-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein engineering of xylose (glucose) isomerase from Actinoplanes missouriensis. 1. Crystallography and site-directed mutagenesis of metal binding sites.
Biochemistry, 31, 1992
6XHG
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BU of 6xhg by Molmil
Far-red absorbing dark state of JSC1_58120g3 with bound biliverdin IXa (BV)
分子名称: 1,2-ETHANEDIOL, 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, JSC1_58120g3
著者Moreno, M.V, Rockwell, N.C, Fisher, A.J, Lagarias, J.C.
登録日2020-06-18
公開日2020-10-28
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A far-red cyanobacteriochrome lineage specific for verdins.
Proc.Natl.Acad.Sci.USA, 117, 2020
9DE8
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BU of 9de8 by Molmil
Structure of full-length HIV TAR RNA soaked in CaCl2
分子名称: CALCIUM ION, RNA (56-MER)
著者Bou-Nader, C, Zhang, J.
登録日2024-08-28
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structures of complete HIV-1 TAR RNA portray a dynamic platform poised for protein binding and structural remodeling.
Nat Commun, 16, 2025
8YK3
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BU of 8yk3 by Molmil
Blood group B alpha-1,3-galactosidase AgaBb from Bifidobacterium bifidum, construct T7-tag_24-673
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-galactosidase, ...
著者Kashima, T, Ashida, H, Fushinobu, S.
登録日2024-03-04
公開日2024-07-10
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal Structure of Bifidobacterium bifidum Glycoside Hydrolase Family 110 alpha-Galactosidase Specific for Blood Group B Antigen.
J Appl Glycosci (1999), 71, 2024
6N98
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BU of 6n98 by Molmil
Xylose isomerase 1F1 variant from Streptomyces sp. F-1
分子名称: MAGNESIUM ION, SULFATE ION, Xylose isomerase
著者Miyamoto, R.Y, Vieira, P.S, Murakami, M.T, Zanphorlin, L.M.
登録日2018-12-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of a novel xylose isomerase from Streptomyces sp. F-1 revealed the presence of unique features that differ from conventional classes.
Biochim Biophys Acta Gen Subj, 1864, 2020
8CXT
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BU of 8cxt by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
7OKP
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BU of 7okp by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ...
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2021-05-18
公開日2021-10-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
7OS4
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BU of 7os4 by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-31 K18
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.1, Histone-arginine methyltransferase CARM1
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2021-06-07
公開日2021-10-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
4UU8
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BU of 4uu8 by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-24
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTX
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Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-23
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UUA
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Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-25
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
9IZW
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Cryo-EM structure of ALDH6A1-S262Y
分子名称: Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial
著者Su, G, Xu, Y, Luan, X.
登録日2024-08-01
公開日2024-11-27
最終更新日2025-07-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural and biochemical basis for the pathogenic mutations of methylmalonate semialdehyde dehydrogenase ALDH6A1
Medicine Plus, 1, 2024

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