6KSQ
 
 | | Middle Domain of Human HSP90 Alpha | | Descriptor: | Heat shock protein HSP 90-alpha | | Authors: | Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C. | | Deposit date: | 2019-08-25 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
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8XXS
 | | Crystal structure of PDE4D catalytic domain complexed with L11 | | Descriptor: | 2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-1-benzofuran-6-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.-Y, Luo, H.-B. | | Deposit date: | 2024-01-19 | | Release date: | 2025-01-22 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.10000944 Å) | | Cite: | 5-hydroxymethylcytosine features of portal venous blood predict metachronous liver metastases of colorectal cancer and reveal phosphodiesterase 4 as a therapeutic target.
Clin Transl Med, 15, 2025
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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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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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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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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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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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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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6ASY
 | | BiP-ATP2 | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | | Deposit date: | 2017-08-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 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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7DYS
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8YBL
 | | Crystal structure of nanobody SEB-Nb3 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb3 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBP
 | | Crystal structure of nanobody SEB-Nb20 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb20 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBN
 | | Crystal structure of nanobody SEB-Nb8 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb8 | | Authors: | Ding, Y, Zong, X, Liu, R, Liu, P. | | Deposit date: | 2024-02-15 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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8YBO
 | | Crystal structure of nanobody SEB-Nb11 bound to staphylococcal enterotoxin B (SEB) | | Descriptor: | Enterotoxin type B, nanobody SEB-Nb11 | | 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 (1.59 Å) | | Cite: | Structural insights into the binding of nanobodies to the Staphylococcal enterotoxin B.
Int.J.Biol.Macromol., 276, 2024
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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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2MKZ
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Hruza, A. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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2LUZ
 | | Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 | | Descriptor: | CalU16 | | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-22 | | Release date: | 2012-10-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
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6IKM
 | | Crystal structure of SpuE-Spermidine in complex with ScFv5 | | Descriptor: | Polyamine transport protein, SPERMIDINE, SULFATE ION, ... | | Authors: | Wu, D, Sun, X. | | Deposit date: | 2018-10-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.398 Å) | | Cite: | A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
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5TEG
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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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2PZ9
 | | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | | Descriptor: | Putative regulatory protein, SULFATE ION | | Authors: | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-05-17 | | Release date: | 2007-06-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
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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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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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