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6SUS
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BU of 6sus by Molmil
Crystal structure of RTX domain blocks IV and V of adenylate cyclase toxin from Bordetella pertussis
分子名称: 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ...
著者Motlova, L, Barinka, C, Bumba, L.
登録日2019-09-16
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Continuous Assembly of beta-Roll Structures Is Implicated in the Type I-Dependent Secretion of Large Repeat-in-Toxins (RTX) Proteins.
J.Mol.Biol., 432, 2020
7L2D
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BU of 7l2d by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 1-87 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 1-87 heavy chain, 1-87 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
3KF9
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BU of 3kf9 by Molmil
Crystal structure of the SdCen/skMLCK complex
分子名称: CALCIUM ION, Caltractin, Myosin light chain kinase 2, ...
著者Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T.
登録日2009-10-27
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural features of the complexes formed by Scherffelia dubia centrin
To be Published
7L57
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BU of 7l57 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Rapp, M, Shapiro, L.
登録日2020-12-21
公開日2021-04-14
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (5.87 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7L56
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BU of 7l56 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43
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, Fab 2-43 variable domain heavy chain, ...
著者Rapp, M, Shapiro, L.
登録日2020-12-21
公開日2021-04-14
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
6SVF
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BU of 6svf by Molmil
Crystal structure of the P235GK mutant of ArgBP from T. maritima
分子名称: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein
著者Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A.
登録日2019-09-18
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 75, 2019
3T8X
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BU of 3t8x by Molmil
Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer
分子名称: 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Garcia-Alles, L.F, Maveyraud, L, Mourey, L, Julien, S.
登録日2011-08-02
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural reorganization of the human CD1b Antigen-binding groove for presentation of mycobacterial sulfoglycolipids
To be Published
6STR
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BU of 6str by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STQ
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BU of 6stq by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STN
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BU of 6stn by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STM
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BU of 6stm by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL)
分子名称: Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STP
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BU of 6stp by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid
分子名称: Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6SJW
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BU of 6sjw by Molmil
Structure of the self-processing module of iron-regulated FrpC of N. Meningitidis with calcium ions
分子名称: CALCIUM ION, Iron-regulated protein FrpC
著者Kuban, V, Macek, P, Hritz, J, Nechvatalova, K, Nedbalcova, K, Faldyna, M, Zidek, L, Bumba, L.
登録日2019-08-14
公開日2020-02-26
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural Basis of Ca 2+ -Dependent Self-Processing Activity of Repeat-in-Toxin Proteins.
Mbio, 11, 2020
3K2T
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BU of 3k2t by Molmil
Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A
分子名称: Lmo2511 protein
著者Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-09-30
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A
To be Published
6VE9
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BU of 6ve9 by Molmil
Solution NMR structure of enterococcal cytolysin S (CylLS") produced by Enterococcus faecalis
分子名称: enterococcal cytolysin S
著者Bobeica, S.C, van der Donk, W.A, Zhu, L, Tang, W.
登録日2019-12-30
公開日2020-07-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
5YEW
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BU of 5yew by Molmil
Structural basis for GTP hydrolysis and conformational change of mitofusin 1 in mediating mitochondrial fusion
分子名称: BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Yan, L, Qi, Y, Huang, X, Yu, C.
登録日2017-09-20
公開日2018-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for GTP hydrolysis and conformational change of MFN1 in mediating membrane fusion
Nat. Struct. Mol. Biol., 25, 2018
6TGD
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BU of 6tgd by Molmil
Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31
分子名称: 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ...
著者Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2019-11-15
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
6TM2
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BU of 6tm2 by Molmil
Human MUC2 AAs 21-1397
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, CALCIUM ION, ...
著者Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D.
登録日2019-12-03
公開日2020-10-21
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
1X70
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BU of 1x70 by Molmil
HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K.
登録日2004-08-12
公開日2005-01-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
6F20
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BU of 6f20 by Molmil
Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ...
著者Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F.
登録日2017-11-23
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
4NO7
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BU of 4no7 by Molmil
Human Glucokinase in complex with a nanomolar activator.
分子名称: (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose
著者Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L.
登録日2013-11-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The active conformation of human glucokinase is not altered by allosteric activators.
Acta Crystallogr. D Biol. Crystallogr., 67, 2011
7L8O
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BU of 7l8o by Molmil
OXA-48 bound by Compound 4.3
分子名称: 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-12-31
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
3KB8
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BU of 3kb8 by Molmil
2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine phosphoribosyltransferase, ...
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-10-20
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP
To be Published
3KB2
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BU of 3kb2 by Molmil
Crystal Structure of YorR protein in complex with phosphorylated GDP from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR256
分子名称: GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION, SPBc2 prophage-derived uncharacterized protein yorR
著者Forouhar, F, Friedman, D, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Ho, C, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-20
公開日2009-10-27
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Northeast Structural Genomics Consortium Target SR256
To be Published

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