8YBM
 
 | | Crystal structure of nanobody SEB-Nb6 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb6 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Last modified: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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2PH8
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION | | Authors: | Munshi, S. | | Deposit date: | 2007-04-10 | | Release date: | 2008-04-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2PH6
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | | Authors: | Munshi, S. | | Deposit date: | 2007-04-10 | | Release date: | 2007-06-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2QZK
 | | Crystal structure of human Beta Secretase complexed with I21 | | Descriptor: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | | Authors: | Munshi, S. | | Deposit date: | 2007-08-16 | | Release date: | 2008-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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5TEG
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6KE3
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6KDE
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6KDF
 | | Crystal structure of the alpha beta heterodimer of human IDH3 in APO form. | | Descriptor: | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta | | Authors: | Sun, P, Ding, J. | | Deposit date: | 2019-07-02 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
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6MO5
 | | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6MOO
 | | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6MO4
 | | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6MOD
 | | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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5W3D
 | | The structure of kinesin-14 wild-type Ncd-ADP dimer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational | | Authors: | Park, H.W, Ma, Z, Chacko, J, Jiang, S.M, Robinson, R.C, Endow, S.A. | | Deposit date: | 2017-06-07 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
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8G4N
 | | Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroids | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ... | | Authors: | Sun, C, Gouaux, E. | | Deposit date: | 2023-02-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
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5W8I
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Lukacs, C.M, Abendroth, J. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5W8J
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Lukacs, C.M, Moulin, A. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5W8K
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Lukacs, C.M, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5W8H
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lukacs, C.M, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5YTX
 | | Crystal structure of YB1 cold-shock domain in complex with UCAACU | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3') | | Authors: | Yang, X, Huang, Y. | | Deposit date: | 2017-11-20 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
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5W8L
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | | Authors: | Davies, D.R, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5YTT
 | | Crystal structure of YB1 cold-shock domain in complex with UCAUGU | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*GP*U)-3'), SULFATE ION | | Authors: | Yang, X, Huang, Y. | | Deposit date: | 2017-11-20 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
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5YTS
 | | Crystal structure of YB1 cold-shock domain in complex with UCUUCU | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*UP*UP*C)-3'), SULFATE ION | | Authors: | Yang, X, Huang, Y. | | Deposit date: | 2017-11-20 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
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5YTV
 | | Crystal structure of YB1 cold-shock domain in complex with UCAUCU | | Descriptor: | Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*CP*U)-3') | | Authors: | Yang, X, Huang, Y. | | Deposit date: | 2017-11-20 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
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2MOQ
 | | Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus | | Descriptor: | Iron-regulated surface determinant protein B | | Authors: | Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V. | | Deposit date: | 2014-04-29 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014
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4C46
 | | ANDREI-N-LVPAS fused to GCN4 adaptors | | Descriptor: | BROMIDE ION, GENERAL CONTROL PROTEIN GCN4 | | Authors: | Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H. | | Deposit date: | 2013-08-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
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