5KBH
| CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL | Descriptor: | 3-CHLOROPHENOL, MopR, ZINC ION | Authors: | Ray, S, Anand, R, Panjikar, S. | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol., 11, 2016
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4N75
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4N7O
| Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin with phosphate at 2.5 A resolution. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sugiyama, K, Shibayama, N, Park, S.Y. | Deposit date: | 2013-10-16 | Release date: | 2014-04-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Capturing the hemoglobin allosteric transition in a single crystal form J.Am.Chem.Soc., 136, 2014
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4MRP
| Structure of a bacterial Atm1-family ABC transporter | Descriptor: | ABC transporter related protein, GLUTATHIONE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C. | Deposit date: | 2013-09-17 | Release date: | 2014-03-19 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for heavy metal detoxification by an Atm1-type ABC exporter. Science, 343, 2014
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5K9Y
| Crystal structure of a thermophilic xylanase A from Bacillus subtilis 1A1 quadruple mutant Q7H/G13R/S22P/S179C | Descriptor: | Endo-1,4-beta-xylanase A | Authors: | Pinheiro, M.P, Ferreira, T.L, Silva, S.R.B, Fuzo, C.A, Silva, S.R, Lourenzoni, M.R, Vieira, D.S, Ward, R.J, Nonato, M.C. | Deposit date: | 2016-06-01 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The role of local residue environmental changes in thermostable mutants of the GH11 xylanase from Bacillus subtilis. Int. J. Biol. Macromol., 97, 2017
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5KAI
| NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-06-01 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.80000925 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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5KCM
| Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W | Descriptor: | (6-4) photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Yang, X, Bowatte, K, Zhang, F, Lamparter, T. | Deposit date: | 2016-06-06 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. Photochem. Photobiol., 93, 2017
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5KGT
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone | Descriptor: | 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2016-06-13 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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4N4Y
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4N7H
| Crystal Structure of the Complex of 3rd WW domain of Human Nedd4 and 1st PPXY Motif of ARRDC3 | Descriptor: | Arrestin domain-containing protein 3, E3 ubiquitin-protein ligase NEDD4, GUANIDINE | Authors: | Qi, S, O'Hayre, M, Gutkind, J.S, Hurley, J. | Deposit date: | 2013-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3). J.Biol.Chem., 289, 2014
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4N7N
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4MSW
| Y78 ester mutant of KcsA in high K+ | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DIACYL GLYCEROL, ... | Authors: | Matulef, K, Valiyaveetil, F.I. | Deposit date: | 2013-09-18 | Release date: | 2013-10-30 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels. Proc.Natl.Acad.Sci.USA, 110, 2013
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5KGS
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one | Descriptor: | 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Maize, K.M, Aldrich, C.C, Finzel, B.C. | Deposit date: | 2016-06-13 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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4KFB
| HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2013-04-26 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4KHZ
| Crystal structure of the maltose-binding protein/maltose transporter complex in an pre-translocation conformation bound to maltoheptaose | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Binding-protein-dependent transport systems inner membrane component, Maltose transport system permease protein MalF, ... | Authors: | Oldham, M.L, Chen, S, Chen, J. | Deposit date: | 2013-05-01 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for substrate specificity in the Escherichia coli maltose transport system. Proc.Natl.Acad.Sci.USA, 110, 2013
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4KCS
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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5JL6
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4KSD
| Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A, R2 protein | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (4.1001 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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5JL9
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4KSC
| Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4K0A
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4K5E
| Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4KCL
| Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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4KJS
| Structure of native YfkE | Descriptor: | cation exchanger YfkE | Authors: | Wu, M, Tong, S, Zheng, L. | Deposit date: | 2013-05-03 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4KK8
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