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5ZRU
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BU of 5zru by Molmil
Crystal structure of Agl-KA catalytic domain
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alpha-1,3-glucanase, CALCIUM ION, ...
著者Yano, S, Makabe, K.
登録日2018-04-25
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Crystal structure of the catalytic unit of GH 87-type alpha-1,3-glucanase Agl-KA from Bacillus circulans.
Sci Rep, 9, 2019
5GVA
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BU of 5gva by Molmil
WD40 domain of human AND-1
分子名称: WD repeat and HMG-box DNA-binding protein 1
著者Guan, C.C, Li, J.
登録日2016-09-04
公開日2017-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome
J. Biol. Chem., 292, 2017
5TEX
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BU of 5tex by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol, IMIDAZOLE, Serine/threonine-protein kinase pim-1
著者Mechin, I, Wang, R, Batchelor, J.D, McLean, L.
登録日2016-09-23
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
7TC0
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BU of 7tc0 by Molmil
The structure of human ABCA1 in digitonin
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, ATP-binding cassette, ...
著者Sun, Y, Li, X.
登録日2021-12-22
公開日2022-01-26
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
5GH0
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BU of 5gh0 by Molmil
Crystal structure of the complex of bovine lactoperoxidase with mercaptoimidazole at 2.3 A resolution
分子名称: 1,3-dihydroimidazole-2-thione, 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Singh, P.K, Sirohi, H.V, Singh, A.K, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2016-06-17
公開日2016-06-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of anti-thyroid drugs: Binding studies and structure determination of the complex of lactoperoxidase with 2-mercaptoimidazole at 2.30 angstrom resolution
Proteins, 85, 2017
7TBY
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BU of 7tby by Molmil
The structure of human ABCA1 in nanodisc
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, ATP-binding cassette, ...
著者Sun, Y, Li, X.
登録日2021-12-22
公開日2022-01-26
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
7TBW
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BU of 7tbw by Molmil
The structure of ATP-bound ABCA1
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, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Sun, Y, Li, X.
登録日2021-12-22
公開日2022-01-26
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
7TBZ
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BU of 7tbz by Molmil
The structure of ABCA1 Y482C
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, ATP-binding cassette, ...
著者Sun, Y, Li, X.
登録日2021-12-22
公開日2022-01-26
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
5T7G
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BU of 5t7g by Molmil
Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PT9) of HIV gp120 MN Isolate (IGPGRAFYT)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Jiang, J, Natarajan, K, Margulies, D.
登録日2016-09-04
公開日2017-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
2R46
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BU of 2r46 by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phosphopyruvic acid.
分子名称: 1,2-ETHANEDIOL, Aerobic glycerol-3-phosphate dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yeh, J.I, Du, S, Chinte, U.
登録日2007-08-30
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Proc.Natl.Acad.Sci.USA, 105, 2008
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
4MOW
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BU of 4mow by Molmil
Crystal structure of a putative glucose 1-dehydrogenase from Burkholderia cenocepacia J2315
分子名称: Glucose 1-dehydrogenase, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-09-12
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a putative glucose 1-dehydrogenase from Burkholderia cenocepacia J2315
TO BE PUBLISHED
9FBF
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BU of 9fbf by Molmil
VDR complex with UG-481
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2024-05-13
公開日2024-06-19
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
1WZ3
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BU of 1wz3 by Molmil
The crystal structure of plant ATG12
分子名称: autophagy 12b
著者Suzuki, N.N, Yoshimoto, K, Fujioka, Y, Ohsumi, Y, Inagaki, F.
登録日2005-02-22
公開日2005-06-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of plant ATG12 and its biological implication in autophagy.
Autophagy, 1, 2005
3X2G
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BU of 3x2g by Molmil
X-ray structure of PcCel45A N92D apo form at 100K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein
著者Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
登録日2014-12-22
公開日2015-10-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
3KW4
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BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
分子名称: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
登録日2009-11-30
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
5TRO
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BU of 5tro by Molmil
1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus.
分子名称: CHLORIDE ION, Penicillin-binding protein 1
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-10-26
公開日2016-11-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom Resolution Crystal Structure of Dimerization and Transpeptidase domains (residues 39-608) of Penicillin-Binding Protein 1 from Staphylococcus aureus.
To Be Published
5TSV
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BU of 5tsv by Molmil
HIV-1 CA hexamer with NUP153 peptide - R3 crystal form
分子名称: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, HIV-1 CA protein, Nuclear pore complex protein Nup153
著者Skorupka, K, Ganser-Pornillos, B.K, Pornillos, O.
登録日2016-10-31
公開日2017-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献HIV-1 CA hexamer with NUP153 peptide - R3 crystal form
To Be Published
3X2L
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BU of 3x2l by Molmil
X-ray structure of PcCel45A apo form at 95K.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein
著者Nakamura, A, Ishida, T, Ohta, K, Tanaka, H, Inaka, K, Samejima, M, Igarashi, K.
登録日2014-12-22
公開日2015-10-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
5KOK
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BU of 5kok by Molmil
Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25
分子名称: (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ...
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-30
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
6ATO
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BU of 6ato by Molmil
Crystal structure of hGSTA1-1 complexed with GSH and MPD in each subunit
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase A1
著者Kumari, V, Ji, X.
登録日2017-08-29
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The dynamic nature of hGSTA1-1 C-terminal helix
To be published
5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
4YDD
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BU of 4ydd by Molmil
Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tsai, C.-L, Youngblut, M.D, Tainer, J.A.
登録日2015-02-21
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
3CMC
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BU of 3cmc by Molmil
Thioacylenzyme intermediate of Bacillus stearothermophilus phosphorylating GAPDH
分子名称: 1,2-ETHANEDIOL, GLYCERALDEHYDE-3-PHOSPHATE, GLYCEROL, ...
著者Moniot, S, Vonrhein, C, Bricogne, G, Didierjean, C, Corbier, C.
登録日2008-03-21
公開日2008-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Trapping of the Thioacylglyceraldehyde-3-phosphate Dehydrogenase Intermediate from Bacillus stearothermophilus: DIRECT EVIDENCE FOR A FLIP-FLOP MECHANISM
J.Biol.Chem., 283, 2008
5T6L
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BU of 5t6l by Molmil
Crystal structure of 10E8 Fab in complex with the MPER epitope scaffold T117v2
分子名称: 10E8 EPITOPE SCAFFOLD T117V2, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-09-01
公開日2017-03-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017

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