5C3O
 
 | | Crystal structure of the C-terminal truncated Neurospora crassa T7H (NcT7HdeltaC) in apo form | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Thymine dioxygenase | | Authors: | Li, W, Zhang, T, Ding, J. | | Deposit date: | 2015-06-17 | | Release date: | 2015-10-21 | | Last modified: | 2015-12-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
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5C3R
 | | Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-hydroxymethyluracil (5hmU) | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 5-HYDROXYMETHYL URACIL, ... | | Authors: | Li, W, Zhang, T, Ding, J. | | Deposit date: | 2015-06-17 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
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4R00
 | | yCP beta5-C52F mutant in complex with Omuralide | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Omuralide, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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5C6S
 | | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Peregrin, ... | | Authors: | DONG, A, DOBROVETSKY, E, MADER, P, Santhakumar, S, TEMPEL, W, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-23 | | Release date: | 2015-07-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
to be published
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4R7U
 | | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin | | Descriptor: | SODIUM ION, TETRAETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | Authors: | Nocek, B, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin
To be Published
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6TUK
 | | Crystal structure of Fdr9 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Putative oxidoreductase, ... | | Authors: | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expression, purification and crystal structure determination of a ferredoxin reductase from the actinobacterium Thermobifida fusca.
Acta Crystallogr.,Sect.F, 76, 2020
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6G8H
 | | Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ... | | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
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6TJN
 | | Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | | Descriptor: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | | Authors: | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
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6G81
 | | Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | | Descriptor: | Hydrogenase maturation factor HypA, ZINC ION | | Authors: | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | | Deposit date: | 2018-04-07 | | Release date: | 2018-10-10 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools.
J. Biol. Inorg. Chem., 23, 2018
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5CB5
 | | Structural Insights into the Mechanism of Escherichia coli Ymdb | | Descriptor: | ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ... | | Authors: | Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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4QVN
 | | yCP beta5-M45V mutant in complex with bortezomib | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-15 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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6GKX
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4QWF
 | | yCP beta5-M45I mutant in complex with carfilzomib | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-16 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
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4QYN
 | | The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol | | Descriptor: | ACETATE ION, RETINOL, Retinol-binding protein 2 | | Authors: | Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
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6GQ3
 | | Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ... | | Authors: | Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J. | | Deposit date: | 2018-06-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
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6GQJ
 | | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) | | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
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6GHO
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4R3I
 | | The crystal structure of an RNA complex | | Descriptor: | RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing protein 1 | | Authors: | Tempel, W, Xu, C, Liu, K, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-08-15 | | Release date: | 2014-09-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
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4RDX
 | | Structure of histidinyl-tRNA synthetase in complex with tRNA(His) | | Descriptor: | ADENOSINE MONOPHOSPHATE, HISTIDINE, Histidine--tRNA ligase, ... | | Authors: | Xie, W, Tian, Q, Wang, C. | | Deposit date: | 2014-09-20 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase
Nucleic Acids Res., 43, 2015
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6GV9
 | | Structure of the type IV pilus from enterohemorrhagic Escherichia coli (EHEC) | | Descriptor: | Prepilin peptidase-dependent protein D | | Authors: | Bardiaux, B, Amorim, G.C, Luna-Rico, A, Zheng, W, Guilvout, I, Jollivet, C, Nilges, M, Egelman, E, Francetic, O, Izadi-Pruneyre, N. | | Deposit date: | 2018-06-20 | | Release date: | 2019-05-15 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
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6GXT
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2018-06-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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6GKW
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5CO4
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5COQ
 | | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | Deposit date: | 2015-07-20 | | Release date: | 2015-08-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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