3BKI
 
 | | Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms | | Descriptor: | Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide | | Authors: | Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P. | | Deposit date: | 2007-12-06 | | Release date: | 2008-09-16 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
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3BYS
 | | co-crystal structure of Lck and aminopyrimidine amide 10b | | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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6RX1
 | | Crystal structure of human syncytin 1 in post-fusion conformation | | Descriptor: | CHLORIDE ION, GLYCEROL, Syncytin-1 | | Authors: | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | | Deposit date: | 2019-06-07 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019
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6RX3
 | | Crystal structure of human syncytin 2 in post-fusion conformation | | Descriptor: | CHLORIDE ION, Syncytin-2 | | Authors: | Ruigrok, K, Backovic, M, Vaney, M.C, Rey, F.A. | | Deposit date: | 2019-06-07 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications.
J.Mol.Biol., 431, 2019
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6SCP
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3BYU
 | | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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6SAT
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6BCC
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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6SCQ
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6SCS
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6BC9
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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3DAT
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6BQ8
 | | Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ... | | Authors: | Kim, C, Kovalevsky, A, Gerlits, O. | | Deposit date: | 2017-11-27 | | Release date: | 2018-03-21 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
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3DAU
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3B2W
 | | Crystal structure of pyrimidine amide 11 bound to Lck | | Descriptor: | N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2007-10-19 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Bioorg.Med.Chem.Lett., 18, 2008
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8SUJ
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6TGX
 | | Crystal structure of Arabidopsis thaliana NAA60 in complex with a bisubstrate analogue | | Descriptor: | Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA | | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | | Deposit date: | 2019-11-18 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
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6BBS
 | | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | | Deposit date: | 2017-10-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
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3EPI
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3E3U
 | | Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor | | Descriptor: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase | | Authors: | Meng, W, Xu, M, Pan, S, Koehn, J. | | Deposit date: | 2008-08-08 | | Release date: | 2009-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
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5MF2
 | | Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
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5EBJ
 | | Joint X-ray/neutron structure of reversibly photoswitching chromogenic protein, Dathail | | Descriptor: | photoswitching chromogenic protein | | Authors: | Kovalevsky, A.Y, Langan, P.S, Bradbury, A.R.M. | | Deposit date: | 2015-10-19 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-15 | | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | Cite: | Evolution and characterization of a new reversibly photoswitching chromogenic protein, Dathail.
J.Mol.Biol., 428, 2016
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4WQJ
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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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4YG4
 | | HipB-O1-O1* complex | | Descriptor: | Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3') | | Authors: | Schumacher, M.A. | | Deposit date: | 2015-02-25 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
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