6SUS
 
 | | Crystal structure of RTX domain blocks IV and V of adenylate cyclase toxin from Bordetella pertussis | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... | | Authors: | Motlova, L, Barinka, C, Bumba, L. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 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
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7L2D
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3KF9
 | | Crystal structure of the SdCen/skMLCK complex | | Descriptor: | CALCIUM ION, Caltractin, Myosin light chain kinase 2, ... | | Authors: | Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T. | | Deposit date: | 2009-10-27 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural features of the complexes formed by Scherffelia dubia centrin
To be Published
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7L57
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15 | | Descriptor: | 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, ... | | Authors: | Rapp, M, Shapiro, L. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (5.87 Å) | | Cite: | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
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7L56
 | | Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43 | | Descriptor: | 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, ... | | Authors: | Rapp, M, Shapiro, L. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-14 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
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6SVF
 | | Crystal structure of the P235GK mutant of ArgBP from T. maritima | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A. | | Deposit date: | 2019-09-18 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 75, 2019
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3T8X
 | | Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer | | Descriptor: | 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, ... | | Authors: | Garcia-Alles, L.F, Maveyraud, L, Mourey, L, Julien, S. | | Deposit date: | 2011-08-02 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural reorganization of the human CD1b Antigen-binding groove for presentation of mycobacterial sulfoglycolipids
To be Published
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6STR
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STQ
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STN
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STM
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) | | Descriptor: | Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STP
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid | | Descriptor: | Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STO
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ... | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6SJW
 | | Structure of the self-processing module of iron-regulated FrpC of N. Meningitidis with calcium ions | | Descriptor: | CALCIUM ION, Iron-regulated protein FrpC | | Authors: | Kuban, V, Macek, P, Hritz, J, Nechvatalova, K, Nedbalcova, K, Faldyna, M, Zidek, L, Bumba, L. | | Deposit date: | 2019-08-14 | | Release date: | 2020-02-26 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Ca 2+ -Dependent Self-Processing Activity of Repeat-in-Toxin Proteins.
Mbio, 11, 2020
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3K2T
 | | Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A | | Descriptor: | Lmo2511 protein | | Authors: | 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) | | Deposit date: | 2009-09-30 | | Release date: | 2009-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A
To be Published
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6VE9
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5YEW
 | | Structural basis for GTP hydrolysis and conformational change of mitofusin 1 in mediating mitochondrial fusion | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yan, L, Qi, Y, Huang, X, Yu, C. | | Deposit date: | 2017-09-20 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for GTP hydrolysis and conformational change of MFN1 in mediating membrane fusion
Nat. Struct. Mol. Biol., 25, 2018
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6TGD
 | | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | | Descriptor: | 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, ... | | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2019-11-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6TM2
 | | Human MUC2 AAs 21-1397 | | Descriptor: | 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, ... | | Authors: | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | | Deposit date: | 2019-12-03 | | Release date: | 2020-10-21 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
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1X70
 | | HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR | | Descriptor: | (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, ... | | Authors: | Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K. | | Deposit date: | 2004-08-12 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | (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
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6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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4NO7
 | | Human Glucokinase in complex with a nanomolar activator. | | Descriptor: | (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose | | Authors: | Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L. | | Deposit date: | 2013-11-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The active conformation of human glucokinase is not altered by allosteric activators.
Acta Crystallogr. D Biol. Crystallogr., 67, 2011
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7L8O
 | | OXA-48 bound by Compound 4.3 | | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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3KB8
 | | 2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP | | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine phosphoribosyltransferase, ... | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-10-20 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | 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
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3KB2
 | | Crystal Structure of YorR protein in complex with phosphorylated GDP from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR256 | | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION, SPBc2 prophage-derived uncharacterized protein yorR | | Authors: | 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) | | Deposit date: | 2009-10-20 | | Release date: | 2009-10-27 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Northeast Structural Genomics Consortium Target SR256
To be Published
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