7DNE
 
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5WJI
 | | Crystal structure of the F61S mutant of HsNUDT16 | | Descriptor: | ACETIC ACID, CHLORIDE ION, SULFATE ION, ... | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-07-23 | | Release date: | 2018-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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6IHG
 | | N terminal domain of Mycobacterium avium complex Lon protease | | Descriptor: | Lon protease | | Authors: | Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H. | | Deposit date: | 2018-09-29 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
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5A9V
 | | Structure of apo BipA | | Descriptor: | GTP-BINDING PROTEIN | | Authors: | Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7N4S
 | | Bruton's tyrosine kinase in complex with compound 65 | | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4R
 | | Bruton's tyrosine kinase in complex with compound 21 | | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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7N4Q
 | | Bruton's tyrosine kinase in complex with compound 45 | | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M, Marcotte, D.J. | | Deposit date: | 2021-06-04 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
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5V5W
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7E9Y
 | | Crystal structure of eLACCO1 | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CALCIUM ION, Lactate-binding periplasmic protein TTHA0766,Lactate-binding periplasmic protein TTHA0766 | | Authors: | Wen, Y, Campbell, R.E, Lemieux, M.J, Nasu, Y. | | Deposit date: | 2021-03-05 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A genetically encoded fluorescent biosensor for extracellular L-lactate.
Nat Commun, 12, 2021
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5A9W
 | | Structure of GDPCP BipA | | Descriptor: | GTP-BINDING PROTEIN, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3IO7
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-08-13 | | Release date: | 2009-11-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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7E4J
 | | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41. | | Descriptor: | Antitoxin, ZINC ION | | Authors: | Pratap, S, Megta, A.K, Talwar, S, Chandresh, S, Pandey, A.K, Krishnan, V. | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray crystal structure of VapB12 antitoxin from mycobacterium tuberculosis in space group P41.
To be published
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4L72
 | | Crystal structure of MERS-CoV complexed with human DPP4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Wang, X.Q, Wang, N.S. | | Deposit date: | 2013-06-13 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
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5W6Z
 | | Crystal structure of the H24W mutant of HsNUDT16 | | Descriptor: | SODIUM ION, U8 snoRNA-decapping enzyme | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-06-18 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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4YF9
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7WOI
 | | Structure of the shaft pilin Spa2 from Corynebacterium glutamicum | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Spa2 | | Authors: | Wu, Y.F, Wang, L.T, Huang, Y.Y, Zhong, C, Zhou, J. | | Deposit date: | 2022-01-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Accelerating the design of pili-enabled living materials using an integrative technological workflow.
Nat.Chem.Biol., 2023
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5A9Y
 | | Structure of ppGpp BipA | | Descriptor: | GTP-BINDING PROTEIN, GUANOSINE-5',3'-TETRAPHOSPHATE | | Authors: | Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2NM1
 | | Structure of BoNT/B in complex with its protein receptor | | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-2 | | Authors: | Jin, R, Rummel, A, Binz, T, Brunger, A.T. | | Deposit date: | 2006-10-20 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity.
Nature, 444, 2006
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5A9X
 | | Structure of GDP bound BipA | | Descriptor: | GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4YFA
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4YG1
 | | HipB-O1-O2 complex/P21212 crystal form | | Descriptor: | Antitoxin HipB, DNA (48-MER) | | Authors: | Schumacher, M.A. | | Deposit date: | 2015-02-25 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
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5V5V
 | | Complex of NLGN2 with MDGA1 Ig1-Ig2 | | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (4.11 Å) | | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017
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5B1W
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5AV7
 | | Crystal structure of Calsepa lectin in complex with bisected glycan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, Lectin | | Authors: | Nagae, M, Yamaguchi, Y. | | Deposit date: | 2015-06-12 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
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2FGE
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