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1DIE
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BU of 1die by Molmil
OBSERVATIONS OF REACTION INTERMEDIATES AND THE MECHANISM OF ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE
分子名称: 1-DEOXYNOJIRIMYCIN, D-XYLOSE ISOMERASE, MAGNESIUM ION
著者Collyer, C.A, Viehmann, H, Goldberg, J.D, Blow, D.M.
登録日1992-06-04
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Observations of reaction intermediates and the mechanism of aldose-ketose interconversion by D-xylose isomerase.
Proc.Natl.Acad.Sci.USA, 87, 1990
4LST
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BU of 4lst by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade C strain ZM176.66 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
5BWW
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BU of 5bww by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.82A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRROLIDINE AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
分子名称: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
著者Skene, R.J.
登録日2015-12-01
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
6CK6
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BU of 6ck6 by Molmil
Crystal Structure of Mnk2-D228G in complex with Inhibitor
分子名称: 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-27
公開日2018-05-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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
最終更新日2024-11-20
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
6N3U
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BU of 6n3u by Molmil
MicroED Structure of the CTD-SP1 fragment of HIV-1 Gag with bound maturation inhibitor Bevirimat.
分子名称: CTD-SP1 fragment of HIV-1 Gag
著者Purdy, M.D, Shi, D, Hattne, J, Chrustowicz, J.
登録日2018-11-16
公開日2018-12-12
最終更新日2023-10-25
実験手法ELECTRON CRYSTALLOGRAPHY (2.9 Å)
主引用文献MicroED structures of HIV-1 Gag CTD-SP1 reveal binding interactions with the maturation inhibitor bevirimat.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4C24
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BU of 4c24 by Molmil
L-fuculose 1-phosphate aldolase
分子名称: 1,2-ETHANEDIOL, GLYCEROL, L-FUCULOSE PHOSPHATE ALDOLASE, ...
著者Higgins, M.A, Suits, M.D.L, Marsters, C, Boraston, A.B.
登録日2013-08-16
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae.
J.Mol.Biol., 426, 2014
3AUA
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BU of 3aua by Molmil
Crystal structure of the quaternary complex-2 of an isomerase
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ...
著者Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
登録日2011-02-01
公開日2011-08-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
3AU8
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BU of 3au8 by Molmil
Crystal structure of the ternary complex of an isomerase
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
登録日2011-02-01
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
3F5B
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BU of 3f5b by Molmil
The crystal structure of aminoglycoside N(6')acetyltransferase from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aminoglycoside N(6')acetyltransferase, ...
著者Tan, K, Wu, R, Perez, V, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-11-03
公開日2008-11-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of aminoglycoside N(6')acetyltransferase from Legionella pneumophila subsp. pneumophila str. Philadelphia 1.
To be Published
5CD1
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BU of 5cd1 by Molmil
Structure of an asymmetric tetramer of human tRNA m1A58 methyltransferase in a complex with SAH and tRNA3Lys
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A, ...
著者Finer-Moore, J, Czudnochowski, N, O'Connell III, J.D, Wang, A.L, Stroud, R.M.
登録日2015-07-02
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal Structure of the Human tRNA m(1)A58 Methyltransferase-tRNA3(Lys) Complex: Refolding of Substrate tRNA Allows Access to the Methylation Target.
J.Mol.Biol., 427, 2015
4YDF
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BU of 4ydf by Molmil
Crystal structure of compound 9 in complex with HTLV-1 Protease
分子名称: HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
3F2L
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BU of 3f2l by Molmil
Crystal structure analysis of the K171A mutation of N-terminal type II cohesin 1 from the cellulosomal ScaB subunit of Acetivibrio cellulolyticus
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, Cellulosomal scaffoldin adaptor protein B, ...
著者Frolow, F, Freeman, A, Wine, Y, Eppel, A, Shanzer, M, Stempler, S.
登録日2008-10-30
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure analysis of the K171A mutation of N-terminal type II cohesin 1 from the cellulosomal ScaB subunit of Acetivibrio cellulolyticus
To be Published
5C14
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BU of 5c14 by Molmil
Crystal structure of PECAM-1 D1D2 domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Zhou, D, Paddock, C, Newman, P, Zhu, J.
登録日2015-06-12
公開日2016-01-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
5YYL
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BU of 5yyl by Molmil
Structure of Major Royal Jelly Protein 1 Oligomer
分子名称: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 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Tian, W, Chen, Z.
登録日2017-12-10
公開日2018-08-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Architecture of the native major royal jelly protein 1 oligomer.
Nat Commun, 9, 2018
2QNE
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BU of 2qne by Molmil
Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, Putative methyltransferase
著者Joint Center for Structural Genomics (JCSG)
登録日2007-07-18
公開日2007-08-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution
To be published
4YTR
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BU of 4ytr by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose
分子名称: 1-deoxy-L-tagatose, 1-deoxy-beta-L-tagatopyranose, D-tagatose 3-epimerase, ...
著者Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
登録日2015-03-18
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
5CCX
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BU of 5ccx by Molmil
Structure of the product complex of tRNA m1A58 methyltransferase with tRNA3Lys as substrate
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A, ...
著者Finer-Moore, J, Czudnochowski, N, O'Connell III, J.D, Wang, A.L, Stroud, R.M.
登録日2015-07-02
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Human tRNA m(1)A58 Methyltransferase-tRNA3(Lys) Complex: Refolding of Substrate tRNA Allows Access to the Methylation Target.
J.Mol.Biol., 427, 2015
5ZFI
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BU of 5zfi by Molmil
Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7
著者Sugawara, H.
登録日2018-03-06
公開日2018-06-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Bioorg. Med. Chem., 26, 2018
5CDN
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BU of 5cdn by Molmil
2.8A structure of etoposide with S.aureus DNA gyrase and DNA
分子名称: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ...
著者Bax, B.D, Srikannathasan, V, Chan, P.F.
登録日2015-07-04
公開日2015-12-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
2QL8
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BU of 2ql8 by Molmil
Crystal structure of a putative redox protein (lsei_0423) from lactobacillus casei atcc 334 at 1.50 A resolution
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, Putative redox protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-07-12
公開日2007-07-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of putative redox protein (YP_805721.1) from Lactobacillus casei ATCC 334 at 1.50 A resolution
To be published
3T7L
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BU of 3t7l by Molmil
Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
分子名称: 1,2-ETHANEDIOL, ZINC ION, Zinc finger FYVE domain-containing protein 16
著者Chaikuad, A, Williams, E, Guo, K, Sanvitale, C, Berridge, G, Krojer, T, Muniz, J.R.C, Canning, P, Phillips, C, Shrestha, A, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2011-07-30
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
To be Published
3CNY
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BU of 3cny by Molmil
Crystal structure of a putative inositol catabolism protein iole (iole, lp_3607) from lactobacillus plantarum wcfs1 at 1.85 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Inositol catabolism protein IolE
著者Joint Center for Structural Genomics (JCSG)
登録日2008-03-26
公開日2008-04-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Putative Inositol Catabolism Protein IolE (NP_786806.1) from Lactobacillus plantarum at 1.85 A resolution
To be published
2R01
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BU of 2r01 by Molmil
Crystal structure of a putative fmn-dependent nitroreductase (ct0345) from chlorobium tepidum tls at 1.15 A resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-17
公開日2007-09-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of putative FMN-dependent nitroreductase (NP_661249.1) from Chlorobium tepidum TLS at 1.15 A resolution
To be published

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