8IW7
 
 | | Cryo-EM structure of the PEA-bound mTAAR9-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | Deposit date: | 2023-03-29 | | Release date: | 2023-05-31 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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4HHE
 | | Quinolinate synthase from Pyrococcus furiosus | | Descriptor: | CHLORIDE ION, Quinolinate synthase A | | Authors: | Soriano, E.V, Zhang, Y, Settembre, E.C, Colabroy, K, Sanders, J.M, Dorrestein, P.C, Begley, T.P, Ealick, S.E. | | Deposit date: | 2012-10-09 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Active-site models for complexes of quinolinate synthase with substrates and intermediates.
Acta Crystallogr.,Sect.D, 69, 2013
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8IWM
 | | Cryo-EM structure of the PEA-bound mTAAR9 complex | | Descriptor: | 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9 | | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | Deposit date: | 2023-03-30 | | Release date: | 2023-05-31 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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2JC4
 | | 3'-5' exonuclease (NExo) from Neisseria Meningitidis | | Descriptor: | ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ... | | Authors: | Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P. | | Deposit date: | 2006-12-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
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8IW1
 | | Cryo-EM structure of the PEA-bound mTAAR9-Golf complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ... | | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | Deposit date: | 2023-03-29 | | Release date: | 2023-05-31 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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3QRI
 | | The crystal structure of human abl1 kinase domain in complex with DCC-2036 | | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1 | | Authors: | Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L. | | Deposit date: | 2011-02-18 | | Release date: | 2011-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
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7PX5
 | | ATAD2 in complex with 1-Methyl-2-quinolone | | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | | Authors: | Martin, M.P, Noble, M.E.N. | | Deposit date: | 2021-10-07 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Exiting the tunnel of uncertainty: crystal soak to validated hit.
Acta Crystallogr D Struct Biol, 78, 2022
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5YZO
 | | Crystal structure of S9 peptidase mutant (S514A) from Deinococcus radiodurans R1 | | Descriptor: | Acyl-peptide hydrolase, putative, DIMETHYL SULFOXIDE, ... | | Authors: | Yadav, P, Jamdar, S.N, Kumar, A, Ghosh, B, Makde, R.D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
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4LSS
 | | Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY VRC01, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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1WRP
 | | FLEXIBILITY OF THE DNA-BINDING DOMAINS OF TRP REPRESSOR | | Descriptor: | TRP REPRESSOR, TRYPTOPHAN | | Authors: | Schewitz, R.W, Otwinowski, Z, Lawson, C.L, Joachimiak, A, Sigler, P.B. | | Deposit date: | 1987-12-01 | | Release date: | 1988-04-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Flexibility of the DNA-binding domains of trp repressor.
Proteins, 3, 1988
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2V79
 | | Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | | Descriptor: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | | Authors: | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | | Deposit date: | 2007-07-27 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation.
J.Mol.Biol., 376, 2008
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4DKT
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | | Deposit date: | 2012-02-04 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
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6PG0
 | | Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-23 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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1EVO
 | | NMR OBSERVATION OF A NOVEL C-TETRAD | | Descriptor: | DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*T)-3') | | Authors: | Patel, P.K, Bhavesh, N.S, Hosur, R.V. | | Deposit date: | 2000-04-20 | | Release date: | 2000-05-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR observation of a novel C-tetrad in the structure of the SV40 repeat sequence GGGCGG.
Biochem.Biophys.Res.Commun., 270, 2000
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6PH9
 | | Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Cho, J, Zhou, P. | | Deposit date: | 2019-06-25 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5Z1A
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7Q3I
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2VT4
 | | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND CYANOPINDOLOL | | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, BETA1 ADRENERGIC RECEPTOR, DECANE, ... | | Authors: | Warne, A, Serrano-Vega, M.J, Baker, J.G, Moukhametzianov, R, Edwards, P.C, Henderson, R, Leslie, A.G.W, Tate, C.G, Schertler, G.F.X. | | Deposit date: | 2008-05-09 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a Beta1-Adrenergic G-Protein-Coupled Receptor.
Nature, 454, 2008
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2VXW
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3QRJ
 | | The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 | | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1 | | Authors: | Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L. | | Deposit date: | 2011-02-18 | | Release date: | 2011-06-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
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5ZHA
 | | Structure of Y68F mutant Mn-Bound periplasmic metal binding protein from candidatus liberibacter asiaticus | | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K. | | Deposit date: | 2018-03-12 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
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5ZHK
 | | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | | Descriptor: | N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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6PLB
 | | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL | | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2019-06-30 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021
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4DP3
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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6PM8
 | | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-07-01 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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