4KRS
 
 | | Tankyrase-1 complexed with small molecule inhibitor | | Descriptor: | 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ... | | Authors: | Stams, T, Kirby, C. | | Deposit date: | 2013-05-17 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases.
J.Med.Chem., 56, 2013
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4LI7
 | | TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | | Descriptor: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
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4LI6
 | | TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide | | Descriptor: | N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide, SULFATE ION, Tankyrase-1, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
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4LI8
 | | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | | Descriptor: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.521 Å) | | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
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3NCO
 | | Crystal structure of FnCel5A from F. nodosum Rt17-B1 | | Descriptor: | Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ... | | Authors: | Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y. | | Deposit date: | 2010-06-05 | | Release date: | 2011-06-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of FnCel5A from F. nodosum Rt17-B1
To be Published
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4M7I
 | | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
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4M5D
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1OCD
 | | CYTOCHROME C (OXIDIZED) FROM EQUUS CABALLUS, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Qi, P.X, Beckman, R.A, Wand, A.J. | | Deposit date: | 1996-07-03 | | Release date: | 1997-06-16 | | Last modified: | 2018-03-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of horse heart ferricytochrome c and detection of redox-related structural changes by high-resolution 1H NMR.
Biochemistry, 35, 1996
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5VGJ
 | | Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain | | Descriptor: | 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ... | | Authors: | Gorman, J, Li, J, Kwong, P.D. | | Deposit date: | 2017-04-11 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.456 Å) | | Cite: | Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
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8HIH
 | | Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Lin, W, Shi, J, Xu, J.C. | | Deposit date: | 2022-11-20 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4QGU
 | | protein domain complex with ssDNA | | Descriptor: | DNA (5'-D(P*AP*GP*GP*CP*CP*GP*GP*CP*GP*TP*GP*A)-3'), Gamma-interferon-inducible protein 16 | | Authors: | Ni, X, Ru, H, Zhao, L, Shaw, N, Ding, W, Songying, O, Liu, Z.-J. | | Deposit date: | 2014-05-25 | | Release date: | 2015-06-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | New insights into the structural basis of DNA recognition by HINa and HINb domains of IFI16.
J Mol Cell Biol, 8, 2016
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7E7E
 | | The co-crystal structure of ACE2 with Fab | | Descriptor: | Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab | | Authors: | Xiao, J.Y, Zhang, Y. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants.
Nat Commun, 12, 2021
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6JOM
 | | Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae | | Descriptor: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase | | Authors: | Zhang, H, Chen, H, Ma, G. | | Deposit date: | 2019-03-22 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
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6K1T
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6LFB
 | | E. coli Thioesterase I mutant DG | | Descriptor: | Acyl-CoA thioesterase I also functions as protease I | | Authors: | Deng, X, Chen, L, Yang, G. | | Deposit date: | 2019-12-01 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
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6LFC
 | | E. coli Thioesterase I mutant DG | | Descriptor: | Acyl-CoA thioesterase I also functions as protease I | | Authors: | Deng, X, Chen, L, Yang, G. | | Deposit date: | 2019-12-01 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Metab. Eng., 61, 2020
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6MF8
 | | TCR alpha transmembrane domain | | Descriptor: | T-cell receptor alpha chain C region | | Authors: | Brazin, K.N, Reinherz, E.L. | | Deposit date: | 2018-09-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The T Cell Antigen Receptor alpha Transmembrane Domain Coordinates Triggering through Regulation of Bilayer Immersion and CD3 Subunit Associations.
Immunity, 49, 2018
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7CMW
 | | Complex structure of PARP1 catalytic domain with pamiparib | | Descriptor: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | | Authors: | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | | Deposit date: | 2020-07-29 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
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7CGW
 | | Complex structure of PD-1 and tislelizumab Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ... | | Authors: | Hong, Y, Feng, Y.C, Liu, Y. | | Deposit date: | 2020-07-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
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3UDD
 | | Tankyrase-1 in complex with small molecule inhibitor | | Descriptor: | 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole, GLYCEROL, SULFATE ION, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2011-10-28 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | [1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding.
J.Med.Chem., 55, 2012
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2HU5
 | | Binding of inhibitors by Acylaminoacyl-peptidase | | Descriptor: | Acylamino-acid-releasing enzyme, GLYCEROL, GLYCINE, ... | | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | | Deposit date: | 2006-07-26 | | Release date: | 2007-05-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
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2HU7
 | | Binding of inhibitors by Acylaminoacyl peptidase | | Descriptor: | ACETYL GROUP, Acylamino-acid-releasing enzyme, GLYCEROL, ... | | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | | Deposit date: | 2006-07-26 | | Release date: | 2007-05-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
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2HU8
 | | Binding of inhibitors by Acylaminoacyl peptidase | | Descriptor: | 2-AMINOBENZOIC ACID, Acylamino-acid-releasing enzyme, GLYCINE, ... | | Authors: | Kiss, A.L, Hornung, B, Radi, K, Gengeliczki, Z, Sztaray, B, Harmat, V, Polgar, L. | | Deposit date: | 2006-07-26 | | Release date: | 2007-05-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
J.Mol.Biol., 368, 2007
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6LBP
 | | Structure of the Glutamine Phosphoribosylpyrophosphate Amidotransferase from Arabidopsis thaliana | | Descriptor: | Amidophosphoribosyltransferase 2, chloroplastic, IRON/SULFUR CLUSTER | | Authors: | Yi, Z, Cao, X, Han, F, Feng, Y. | | Deposit date: | 2019-11-14 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.065 Å) | | Cite: | Crystal Structure of the Chloroplastic Glutamine Phosphoribosylpyrophosphate Amidotransferase GPRAT2 FromArabidopsis thaliana.
Front Plant Sci, 11, 2020
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3JTT
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