2N78
 
 | | NMR structure of IF1 from Pseudomonas aeruginosa | | Descriptor: | Translation initiation factor IF-1 | | Authors: | Zhang, Y. | | Deposit date: | 2015-09-04 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | (1)H, (13)C and (15)N resonance assignments and secondary structure analysis of translation initiation factor 1 from Pseudomonas aeruginosa.
Biomol.Nmr Assign., 10, 2016
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2NAV
 | | NMR solution structure of Ex-4[1-16]/pl14a | | Descriptor: | Exendin-4, Alpha/kappa-conotoxin pl14a chimera | | Authors: | Schroeder, C.I, Swedberg, J.E, Craik, D.J. | | Deposit date: | 2016-01-11 | | Release date: | 2016-05-04 | | Last modified: | 2016-08-17 | | Method: | SOLUTION NMR | | Cite: | Truncated Glucagon-like Peptide-1 and Exendin-4 alpha-Conotoxin pl14a Peptide Chimeras Maintain Potency and alpha-Helicity and Reveal Interactions Vital for cAMP Signaling in Vitro.
J.Biol.Chem., 291, 2016
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2ND8
 | | Structures of DK17 in TBLE LUVS | | Descriptor: | Cell penetrating peptide | | Authors: | Bera, S, Bhunia, A. | | Deposit date: | 2016-05-11 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Elucidation of the Cell-Penetrating Penetratin Peptide in Model Membranes at the Atomic Level: Probing Hydrophobic Interactions in the Blood-Brain Barrier
Biochemistry, 55, 2016
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2NO6
 | | C4S dCK variant of dCK in complex with FTC+ADP | | Descriptor: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-25 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2NNR
 | | Crystal structure of chagasin, cysteine protease inhibitor from Trypanosoma cruzi | | Descriptor: | CHLORIDE ION, Chagasin, GLYCEROL, ... | | Authors: | Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease
J.Mol.Biol., 371, 2007
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2QYK
 | | Crystal structure of PDE4A10 in complex with inhibitor NPV | | Descriptor: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, Cyclic AMP-specific phosphodiesterase HSPDE4A10, MAGNESIUM ION, ... | | Authors: | Wang, H, Peng, M, Chen, Y, Geng, J, Robinson, H, Houslay, M. | | Deposit date: | 2007-08-15 | | Release date: | 2008-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
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2QFO
 | | HSP90 complexed with A143571 and A516383 | | Descriptor: | (3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one, 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha | | Authors: | Park, C.H. | | Deposit date: | 2007-06-27 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
CHEM.BIOL.DRUG DES., 70, 2007
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2QJR
 | | dipepdyl peptidase IV in complex with inhibitor PZF | | Descriptor: | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shenping, L. | | Deposit date: | 2007-07-09 | | Release date: | 2008-07-29 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.
Bioorg.Med.Chem.Lett., 17, 2007
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2QU5
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzimidazole inhibitor | | Descriptor: | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2007-08-03 | | Release date: | 2007-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.
J.Med.Chem., 50, 2007
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2QZX
 | | Secreted aspartic proteinase (Sap) 5 from Candida albicans | | Descriptor: | Candidapepsin-5, Pepstatin | | Authors: | Lee, J.H, Ruge, E, Borelli, C, Maskos, K, Huber, R. | | Deposit date: | 2007-08-17 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans.
Proteins, 72, 2008
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2QK8
 | | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, METHOTREXATE | | Authors: | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | | Deposit date: | 2007-07-10 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
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2QF7
 | | Crystal structure of a complete multifunctional pyruvate carboxylase from Rhizobium etli | | Descriptor: | CHLORIDE ION, COENZYME A, FORMIC ACID, ... | | Authors: | St Maurice, M, Surinya, K.H, Rayment, I. | | Deposit date: | 2007-06-27 | | Release date: | 2007-09-04 | | Last modified: | 2012-02-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Domain architecture of pyruvate carboxylase, a biotin-dependent multifunctional enzyme
Science, 317, 2007
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2QYN
 | | Crystal structure of PDE4D2 in complex with inhibitor NPV | | Descriptor: | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ke, H. | | Deposit date: | 2007-08-15 | | Release date: | 2008-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
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2R3C
 | | Structure of the gp41 N-peptide in complex with the HIV entry inhibitor PIE1 | | Descriptor: | CHLORIDE ION, HIV entry inhibitor PIE1, YTTRIUM (III) ION, ... | | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | | Deposit date: | 2007-08-29 | | Release date: | 2007-10-02 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R3Z
 | | Crystal structure of mouse IP-10 | | Descriptor: | Small-inducible cytokine B10 | | Authors: | Jabeen, T, Leonard, P, Jamaluddin, H, Acharya, K.R. | | Deposit date: | 2007-08-30 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of mouse IP-10, a chemokine
Acta Crystallogr.,Sect.D, 64, 2008
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2R5B
 | | Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | | Descriptor: | HIV entry inhibitor PIE7, SULFATE ION, gp41 N-peptide | | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-02 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R5D
 | | Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HIV entry inhibitor PIE7, ... | | Authors: | VanDemark, A.P, Welch, B, Heroux, A, Hill, C.P, Kay, M.S. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-02 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Potent D-peptide inhibitors of HIV-1 entry
Proc.Natl.Acad.Sci.Usa, 104, 2007
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8W44
 | | X-ray crystal structure of V30M-TTR in complex with oxyresveratrol | | Descriptor: | SODIUM ION, Transthyretin, trans-oxyresveratrol | | Authors: | Yokoyama, T. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
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8XB0
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Tong, S.L, Zhang, G.P. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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9AUC
 | | Human Amylin1 Receptor in Complex with Gs and human Calcitonin Gene-Related Peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin gene-related peptide 1, ... | | Authors: | Cao, J, Belousoff, M.J, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2024-02-28 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Cryo-EM Structure of the Human Amylin 1 Receptor in Complex with CGRP and Gs Protein.
Biochemistry, 63, 2024
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8TZ5
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8TM7
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8TOU
 | | ACE2-peptide 2 complex crystal form 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Franck, C, Payne, R.J, Christie, M. | | Deposit date: | 2023-08-04 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8W46
 | | X-ray crystal structure of V30M-TTR in complex with pterostilbene | | Descriptor: | Pterostilbene, SODIUM ION, Transthyretin | | Authors: | Yokoyama, T. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
J.Med.Chem., 66, 2023
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